Exact Mass: 253.1804

Exact Mass Matches: 253.1804

Found 195 metabolites which its exact mass value is equals to given mass value 253.1804, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Irgarol

2-N-tert-butyl-4-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

C11H19N5S (253.1361)


CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8830; ORIGINAL_PRECURSOR_SCAN_NO 8829 CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8893; ORIGINAL_PRECURSOR_SCAN_NO 8891 CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8806; ORIGINAL_PRECURSOR_SCAN_NO 8802 CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8852; ORIGINAL_PRECURSOR_SCAN_NO 8850 CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8811; ORIGINAL_PRECURSOR_SCAN_NO 8810 CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8878; ORIGINAL_PRECURSOR_SCAN_NO 8875 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1011 CONFIDENCE standard compound; EAWAG_UCHEM_ID 302 CONFIDENCE standard compound; INTERNAL_ID 4008 CONFIDENCE standard compound; INTERNAL_ID 8798 CONFIDENCE standard compound; INTERNAL_ID 4034

   

Sisthane

alpha-butyl-alpha-phenyl-1H-imidazole-1-propiononitrile

C16H19N3 (253.1579)


   

2-({[(4-methoxyphenyl)methyl](methyl)amino}methyl)-2-methylpropane-1,3-diol

2-({[(4-methoxyphenyl)methyl](methyl)amino}methyl)-2-methylpropane-1,3-diol

C14H23NO3 (253.1678)


   

O-Demethylmetoprolol

O-Desmethyl Metoprolol

C14H23NO3 (253.1678)


   

Tolpropamine

dimethyl[3-(4-methylphenyl)-3-phenylpropyl]amine

C18H23N (253.183)


D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Tolpropamine is an alkylamine H1-antihistamine.

   

Diethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate

3,5-Diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

C13H19NO4 (253.1314)


   

1R-cis-3,3,5-Trimethylcyclohexyl ester5-oxo-L-proline

3,3,5-Trimethylcyclohexyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid

C14H23NO3 (253.1678)


   

N-(2-(1-Naphthalenyl)ethyl)cyclobutanecarboxamide

N-[2-(naphthalen-1-yl)ethyl]cyclobutanecarboxamide

C17H19NO (253.1467)


   

L-DOPA n-Butyl Ester

butyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate

C13H19NO4 (253.1314)


   

Nefopam

5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine

C17H19NO (253.1467)


C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000700 - Analgesics N - Nervous system > N02 - Analgesics

   

O-Demethylmetoprolol

1-[4-(2-hydroxyethyl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol

C14H23NO3 (253.1678)


   
   

Andrachcinine

Andrachcinine

C15H27NO2 (253.2042)


   

Tuberostemospironine

Tuberostemospironine

C13H19NO4 (253.1314)


   
   
   

ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate

ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate

C13H19NO4 (253.1314)


   

nefopam

nefopam

C17H19NO (253.1467)


C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000700 - Analgesics N - Nervous system > N02 - Analgesics

   

MCULE-4442501136

MCULE-4442501136

C13H19NO4 (253.1314)


   

Anabasamine

Anabasamine

C16H19N3 (253.1579)


Annotation level-1

   

3,5-Hexalobine A

3,5-Hexalobine A

C18H23N (253.183)


   

3,6-Hexalobine A

3,6-Hexalobine A

C18H23N (253.183)


   

(6R,8S)-(+)-herbindole C|(6R,8S)-herbindole C|herbindole C

(6R,8S)-(+)-herbindole C|(6R,8S)-herbindole C|herbindole C

C18H23N (253.183)


   

NSC712180

NSC712180

C18H23N (253.183)


   

Norepilachnene

Norepilachnene

C15H27NO2 (253.2042)


   

2-allyl-5-(2,3-dihydroxypropyl)-trans-decahydroquinoline

2-allyl-5-(2,3-dihydroxypropyl)-trans-decahydroquinoline

C15H27NO2 (253.2042)


   

Dendrobates Alkaloid 253

Dendrobates Alkaloid 253

C15H27NO2 (253.2042)


   

Deglucopterocereine

Deglucopterocereine

C13H19NO4 (253.1314)


   

3-phenyl-N-(2-phenylethyl)propanamide

3-phenyl-N-(2-phenylethyl)propanamide

C17H19NO (253.1467)


   

2-Methylbutanoyl-(-)-Lupinine

2-Methylbutanoyl-(-)-Lupinine

C15H27NO2 (253.2042)


   

methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate

methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate

C13H19NO4 (253.1314)


A benzoate ester that is methyl 4-aminobenzoate substituted by a 2,3-dihydroxy-3-methylbutyl group at position 2. It is isolated from the wood-decayed fungus Xylaria sp.BCC9653 and exhibits potent cytotoxicity against African green monkey kidney fibroblast (Vero) cells.

   
   

N-Acetylmescaline

N-Acetylmescaline

C13H19NO4 (253.1314)


   
   

Diphenylprolinol

Diphenylprolinol

C17H19NO (253.1467)


   

ANABASAMINE

NCGC00160193-01!ANABASAMINE

C16H19N3 (253.1579)


   

N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide

NCGC00380372-01!N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide

C13H19NO4 (253.1314)


   

MPL-dm

MPL-dm

C14H23NO3 (253.1678)


CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); ALGAE_TP_ID 2801

   

N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide

N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide

C13H19NO4 (253.1314)


   

N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide [IIN-based: Match]

NCGC00380372-01!N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide [IIN-based: Match]

C13H19NO4 (253.1314)


   

N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide [IIN-based on: CCMSLIB00000848409]

NCGC00380372-01!N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide [IIN-based on: CCMSLIB00000848409]

C13H19NO4 (253.1314)


   

Anabasamine_major

Anabasamine_major

C16H19N3 (253.1579)


   

4-(2-hydroxy-3-isopropyl-aminopropyl)benzoic scid

4-(2-hydroxy-3-isopropyl-aminopropyl)benzoic scid

C13H19NO4 (253.1314)


   

8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(buspirone metabolite)

8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(buspirone metabolite)

C13H19NO4 (253.1314)


   

(8S,Z)-6-((2R)-4-hydroxy-2-methylpentylidene)-8-methyloctahydroindolizin-8-ol

(8S,Z)-6-((2R)-4-hydroxy-2-methylpentylidene)-8-methyloctahydroindolizin-8-ol

C15H27NO2 (253.2042)


   

(7R,8R,E)-8-methyl-6-((R)-2-methylpentylidene)octahydroindolizine-7,8-diol

(7R,8R,E)-8-methyl-6-((R)-2-methylpentylidene)octahydroindolizine-7,8-diol

C15H27NO2 (253.2042)


   

3-((2R,5R)-2-allyldecahydroquinolin-5-yl)propane-1,2-diol

3-((2R,5R)-2-allyldecahydroquinolin-5-yl)propane-1,2-diol

C15H27NO2 (253.2042)


   

3-Indolecarboxylic acid

3-Indolecarboxylic acid

C13H19NO4 (253.1314)


   

3-O-Methylisoetharine

3-O-Methylisoetharine

C14H23NO3 (253.1678)


   
   

N-[1-(4-Methoxy-2-oxo-2H-pyran-6-yl)-2-methylbutyl]acetamide

N-[1-(4-Methoxy-2-oxo-2H-pyran-6-yl)-2-methylbutyl]acetamide

C13H19NO4 (253.1314)


   

N-hexanoyl histidine

N-hexanoyl histidine

C12H19N3O3 (253.1426)


   

Albanitrile D

17-Oxoheptadeca-6,8,10-triynenitrile

C17H19NO (253.1467)


   

N-(4-TERT-BUTYL-PHENYL)-BENZAMIDE

N-(4-TERT-BUTYL-PHENYL)-BENZAMIDE

C17H19NO (253.1467)


   

4-(4-PHENOXY-PHENYL)-PIPERIDINE

4-(4-PHENOXY-PHENYL)-PIPERIDINE

C17H19NO (253.1467)


   

5-tert-butyl-2-(diethylaminomethyl)furan-3-carboxylic acid

5-tert-butyl-2-(diethylaminomethyl)furan-3-carboxylic acid

C14H23NO3 (253.1678)


   

2-tri(propan-2-yl)silyl-1,3-oxazole-5-carbaldehyde

2-tri(propan-2-yl)silyl-1,3-oxazole-5-carbaldehyde

C13H23NO2Si (253.1498)


   

2,4-BIS-(2-METHYL-IMIDAZOL-1-YL)-PHENYLAMINE

2,4-BIS-(2-METHYL-IMIDAZOL-1-YL)-PHENYLAMINE

C14H15N5 (253.1327)


   

3-(3-METHYL-1,2,4-OXADIAZOL-5-YL)-1-PYRROLIDINECARBOXYLIC ACID1,1-DIMETHYLETHYL ESTER

3-(3-METHYL-1,2,4-OXADIAZOL-5-YL)-1-PYRROLIDINECARBOXYLIC ACID1,1-DIMETHYLETHYL ESTER

C12H19N3O3 (253.1426)


   

1-Benzyl-4-(4-pyridinyl) piperazine

1-Benzyl-4-(4-pyridinyl) piperazine

C16H19N3 (253.1579)


   

Aluminium 2-methyl-2-propanolate lithium (1:3:1)

Aluminium 2-methyl-2-propanolate lithium (1:3:1)

C12H27AlLiO3 (253.1936)


   

tert-butyl 2-formyl-7-azaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-formyl-7-azaspiro[3.5]nonane-7-carboxylate

C14H23NO3 (253.1678)


   

2-(BENZYL METHYL AMINO)-1-PHENYLPROPAN-1-ONE

2-(BENZYL METHYL AMINO)-1-PHENYLPROPAN-1-ONE

C17H19NO (253.1467)


   

Meladrazine

1,3,5-Triazine-2,4-diamine,N2,N2,N4,N4-tetraethyl-6-hydrazinyl-

C11H23N7 (253.2015)


G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BD - Drugs for urinary frequency and incontinence C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent

   

1-ETHYL-2-PYRIDIN-3-YL-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-OL

1-ETHYL-2-PYRIDIN-3-YL-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-OL

C17H19NO (253.1467)


   

2-(5-AMINO-ISOXAZOL-3-YL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

2-(5-AMINO-ISOXAZOL-3-YL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

C12H19N3O3 (253.1426)


   

tert-butyl 3-(2-methyl-2H-tetrazol-5-yl)pyrrolidine-1-carboxylate

tert-butyl 3-(2-methyl-2H-tetrazol-5-yl)pyrrolidine-1-carboxylate

C11H19N5O2 (253.1539)


   

N2-Acetyl-N-benzyl-O-(2H3)methyl-D-serinamide

N2-Acetyl-N-benzyl-O-(2H3)methyl-D-serinamide

C13H15D3N2O3 (253.1506)


   

[1-(Diphenylmethyl)-2-azetidinyl]methanol

[1-(Diphenylmethyl)-2-azetidinyl]methanol

C17H19NO (253.1467)


   

isopropylmethoxamine

isopropylmethoxamine

C14H23NO3 (253.1678)


   

1-(Dibenzylamino)cyclopropanol

1-(Dibenzylamino)cyclopropanol

C17H19NO (253.1467)


   

N-(3,4-dimethoxyphenyl)-Carbamic acid 1,1-dimethylethyl ester

N-(3,4-dimethoxyphenyl)-Carbamic acid 1,1-dimethylethyl ester

C13H19NO4 (253.1314)


   

3-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)-5-METHOXYPYRIDINE

3-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)-5-METHOXYPYRIDINE

C13H23NO2Si (253.1498)


   

2-(1-PHENYL-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-ETHANOL

2-(1-PHENYL-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-ETHANOL

C17H19NO (253.1467)


   

(5-([TERT-BUTYL(DIMETHYL)SILYL]OXY)PYRIDIN-3-YL)BORONIC ACID

(5-([TERT-BUTYL(DIMETHYL)SILYL]OXY)PYRIDIN-3-YL)BORONIC ACID

C11H20BNO3Si (253.1305)


   

aptazapine

aptazapine

C16H19N3 (253.1579)


C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent

   

(S)-(-)-α,α-Diphenyl-2-pyrrolidinemethanol

(S)-(-)-α,α-Diphenyl-2-pyrrolidinemethanol

C17H19NO (253.1467)


   

1-(diphenylmethyl)-3-methylazetidin-3-ol

1-(diphenylmethyl)-3-methylazetidin-3-ol

C17H19NO (253.1467)


   

ST 91

ST 91

C13H20ClN3 (253.1346)


ST91 is a α2-adrenoceptor (α2AR) agonist. ST91 activates both α2AAR and non-α2AAR subtypes to produce spinal antinociception[1][2][3].

   

Ethyl 5-(acetoxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate

Ethyl 5-(acetoxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate

C13H19NO4 (253.1314)


   

ethyl 3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate

ethyl 3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate

C13H19NO4 (253.1314)


   

2-decylsulfanylethanamine,hydrochloride

2-decylsulfanylethanamine,hydrochloride

C12H28ClNS (253.1631)


   

Armillarisin A

Armillarisin A

C14H23NO3 (253.1678)


   

Crilvastatin

(3,3,5-Trimethylcyclohexyl) 5-oxopyrrolidine-2-carboxylate

C14H23NO3 (253.1678)


D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors D009676 - Noxae > D000963 - Antimetabolites

   

ETHYL (1R,5R,6R)-5-(1-ETHYLPROPOXY)-7-AZABICYCLO[4.1.0]HEPT-3-ENE-3-CARBOXYLATE

ETHYL (1R,5R,6R)-5-(1-ETHYLPROPOXY)-7-AZABICYCLO[4.1.0]HEPT-3-ENE-3-CARBOXYLATE

C14H23NO3 (253.1678)


   

trans-4-[4-(3-Pentenyl) cyclohexyl] benzonitrile

trans-4-[4-(3-Pentenyl) cyclohexyl] benzonitrile

C18H23N (253.183)


   

2-(acetoxymethyl)4-(3-methoxypropoxy)-3-methylpyridine

2-(acetoxymethyl)4-(3-methoxypropoxy)-3-methylpyridine

C13H19NO4 (253.1314)


   

(S)-1-TOSYLOXY-3-BUTEN-1-OL

(S)-1-TOSYLOXY-3-BUTEN-1-OL

C18H23N (253.183)


   

(R)-(+)-2,3-EPOXYPROPYLHEXYLETHER

(R)-(+)-2,3-EPOXYPROPYLHEXYLETHER

C18H23N (253.183)


   

2-Methyl-4-(N-ethyl-N-benzyl)aminobenzaldehyde

2-Methyl-4-(N-ethyl-N-benzyl)aminobenzaldehyde

C17H19NO (253.1467)


   

(2-AMINOBENZYL)TRIPHENYLPHOSPHONIUMBROMIDE

(2-AMINOBENZYL)TRIPHENYLPHOSPHONIUMBROMIDE

C17H19NO (253.1467)


   

tert-butyl 4-oxo-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl 4-oxo-8-azaspiro[4.5]decane-8-carboxylate

C14H23NO3 (253.1678)


   

11-pyrrol-1-ylundecane-1-thiol

11-pyrrol-1-ylundecane-1-thiol

C15H27NS (253.1864)


   

(R)-1-(TERT-BUTOXYCARBONYL)-2-(PROP-2-YN-1-YL)PYRROLIDINE-2-CARBOXYLIC ACID

(R)-1-(TERT-BUTOXYCARBONYL)-2-(PROP-2-YN-1-YL)PYRROLIDINE-2-CARBOXYLIC ACID

C13H19NO4 (253.1314)


   

2-methyl-1-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-1H-isoquinoline

2-methyl-1-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-1H-isoquinoline

C18H23N (253.183)


   

tert-butyl N-(2,4-dimethoxyphenyl)carbamate

tert-butyl N-(2,4-dimethoxyphenyl)carbamate

C13H19NO4 (253.1314)


   

benzyl-[(4-tert-butylphenyl)methyl]azanium

benzyl-[(4-tert-butylphenyl)methyl]azanium

C18H23N (253.183)


   

2-(2-Naphthyl)-2-(pentyloxy)acetonitrile

2-(2-Naphthyl)-2-(pentyloxy)acetonitrile

C17H19NO (253.1467)


   

Salbutamol EP impurity A

Salbutamol EP impurity A

C14H23NO3 (253.1678)


   

5-ethyl-5-(4-methyl-1-piperidyl)-1,3-diazinane-2,4,6-trione

5-ethyl-5-(4-methyl-1-piperidyl)-1,3-diazinane-2,4,6-trione

C12H19N3O3 (253.1426)


   

Boc-(S)-α-Propynyl-proline

Boc-(S)-α-Propynyl-proline

C13H19NO4 (253.1314)


   

(S)-2-CHLORO-1-(4-FLUOROPHENYL)ETHANOL

(S)-2-CHLORO-1-(4-FLUOROPHENYL)ETHANOL

C17H19NO (253.1467)


   

4-(TERT-BUTYL)-N,N-DIMETHYL-[1,1-BIPHENYL]-4-AMINE

4-(TERT-BUTYL)-N,N-DIMETHYL-[1,1-BIPHENYL]-4-AMINE

C18H23N (253.183)


   

2-N-Propyl Pramipexole

2-N-Propyl Pramipexole

C13H23N3S (253.1613)


   

N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine

N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine

C16H19N3 (253.1579)


   

Solvent Yellow 56

4-(Diethylamino)azobenzene

C16H19N3 (253.1579)


   

H-Ser(tBu)-OtBu.HCl

H-Ser(tBu)-OtBu.HCl

C11H24ClNO3 (253.1445)


   

Methanone,[4-(diethylamino)phenyl]phenyl-

Methanone,[4-(diethylamino)phenyl]phenyl-

C17H19NO (253.1467)


   

tert-butyl 2-(5-cyclopropyl-1H-tetrazol-1-yl)ethylcarbamate

tert-butyl 2-(5-cyclopropyl-1H-tetrazol-1-yl)ethylcarbamate

C11H19N5O2 (253.1539)


   

tert-butyl 4-hydroxy-3-Methoxybenzylcarbamate

tert-butyl 4-hydroxy-3-Methoxybenzylcarbamate

C13H19NO4 (253.1314)


   

1,2,3,4-tetrahydro-N-(4-methoxyphenyl)-1-Naphthalenamine

1,2,3,4-tetrahydro-N-(4-methoxyphenyl)-1-Naphthalenamine

C17H19NO (253.1467)


   

2-(3-oxodecahydroquinoxalin-2-yl)-N-propylacetamide

2-(3-oxodecahydroquinoxalin-2-yl)-N-propylacetamide

C13H23N3O2 (253.179)


   

3-(2-Ethoxycarbonyl-ethyl)-5-methyl-1H-pyrrole-2-carboxylic acid ethyl ester

3-(2-Ethoxycarbonyl-ethyl)-5-methyl-1H-pyrrole-2-carboxylic acid ethyl ester

C13H19NO4 (253.1314)


   

(R)-(+)-2-(Diphenylhydroxymethyl)pyrrolidine

(R)-(+)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol

C17H19NO (253.1467)


   

[1-(Diphenylmethyl)-3-azetidinyl]methanol

[1-(Diphenylmethyl)-3-azetidinyl]methanol

C17H19NO (253.1467)


   

tert-butyl 8-oxo-2-azaspiro[4.5]decane-2-carboxylate

tert-butyl 8-oxo-2-azaspiro[4.5]decane-2-carboxylate

C14H23NO3 (253.1678)


   

4-(1-ISOPROPYL-1H-PYRROLO[2,3-C]PYRIDIN-3-YL)PYRIMIDIN-2-AMINE

4-(1-ISOPROPYL-1H-PYRROLO[2,3-C]PYRIDIN-3-YL)PYRIMIDIN-2-AMINE

C14H15N5 (253.1327)


   

2-TERT-BUTYL 4-METHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE

2-TERT-BUTYL 4-METHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE

C13H19NO4 (253.1314)


   

DIETHYL 3-ISOPROPYL-1H-PYRROLE-2,4-DICARBOXYLATE

DIETHYL 3-ISOPROPYL-1H-PYRROLE-2,4-DICARBOXYLATE

C13H19NO4 (253.1314)


   

N-(2,4-Dimethoxybenzyl)glycine ethyl ester

N-(2,4-Dimethoxybenzyl)glycine ethyl ester

C13H19NO4 (253.1314)


   

1-benzhydryl-3-methoxyazetidine

1-benzhydryl-3-methoxyazetidine

C17H19NO (253.1467)


   

(S)-2-N-CBZ-AMINOPENTANE-1,5-DIOL

(S)-2-N-CBZ-AMINOPENTANE-1,5-DIOL

C13H19NO4 (253.1314)


   

(R)-2-N-CBZ-AMINOPENTANE-1,5-DIOL

(R)-2-N-CBZ-AMINOPENTANE-1,5-DIOL

C13H19NO4 (253.1314)


   

acrylic acid, butyl prop-2-enoate, prop-2-enenitrile

acrylic acid, butyl prop-2-enoate, prop-2-enenitrile

C13H19NO4 (253.1314)


   

Trimethyldiphenylpropylamine

Trimethyldiphenylpropylamine

C18H23N (253.183)


A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders

   

3-Decyl-2,5-dioxo-4-hydroxy-3-pyrroline

3-Decyl-2,5-dioxo-4-hydroxy-3-pyrroline

C14H23NO3 (253.1678)


   

N-(2,4-dimethylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

N-(2,4-dimethylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

C14H15N5 (253.1327)


   

(+)-Nefopam

(+)-Nefopam

C17H19NO (253.1467)


   

(-)-Nefopam

(-)-Nefopam

C17H19NO (253.1467)


   

N-(3-phenylpropyl)-9H-purin-6-amine

N-(3-phenylpropyl)-9H-purin-6-amine

C14H15N5 (253.1327)


   

2-(4-Dimethylaminostyryl)-1-ethylpyridinium

2-(4-Dimethylaminostyryl)-1-ethylpyridinium

C17H21N2+ (253.1705)


   

1-Ethyl-4-[4-(dimethylamino)styryl]pyridinium

1-Ethyl-4-[4-(dimethylamino)styryl]pyridinium

C17H21N2+ (253.1705)


   

n-[2-(3,4-Dimethoxyphenyl)ethyl]-1,1,1-trimethylsilanamine

n-[2-(3,4-Dimethoxyphenyl)ethyl]-1,1,1-trimethylsilanamine

C13H23NO2Si (253.1498)


   

Cyclo-(L-arginine-L-proline) inhibitor

Cyclo-(L-arginine-L-proline) inhibitor

C11H19N5O2 (253.1539)


   

tolpropamine

tolpropamine

C18H23N (253.183)


D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist

   

diketopiperazine Pro-Arg

diketopiperazine Pro-Arg

C11H19N5O2 (253.1539)


   

L-DOPA n-Butyl Ester

butyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate

C13H19NO4 (253.1314)


   

Palmitoleate

Palmitoleate

C16H29O2- (253.2167)


A hexadec-9-enoate that is the conjugate base of palmitoleic acid; major species at pH 7.3.

   

(E)-hexadec-2-enoate

(E)-hexadec-2-enoate

C16H29O2- (253.2167)


A straight-chain unsaturated fatty acid anion that is the conjugate base of (E)-hexadec-2-enoic acid, obtained by deprotonation of the carboxy group.

   

Sapienate

Sapienate

C16H29O2- (253.2167)


A long-chain unsaturated fatty acid anion that is the conjugate base of sapienic acid, obtained by deprotonation of the carboxy group.

   

Hexadec-9-enoate

Hexadec-9-enoate

C16H29O2- (253.2167)


A long-chain unsaturated fatty acid anion that is the conjugate base of hexadec-9-enoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

(7Z)-hexadecenoate

(7Z)-hexadecenoate

C16H29O2- (253.2167)


A hexadecenoate that is the conjugate base of (7Z)-hexadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

cis-Hexadecenoic acid

cis-Hexadecenoic acid

C16H29O2- (253.2167)


   

Elymoclavine aldehyde

Elymoclavine aldehyde

C16H17N2O+ (253.1341)


   

(4Z)-hexadec-4-enoic acid

(4Z)-hexadec-4-enoic acid

C16H29O2- (253.2167)


   

(3E)-hexadecenoate

(3E)-hexadecenoate

C16H29O2- (253.2167)


   

(1S)-1-[(2S)-2-amino-4-methylpentanamido]ethyl(methoxy)phosphinate

(1S)-1-[(2S)-2-amino-4-methylpentanamido]ethyl(methoxy)phosphinate

C9H22N2O4P+ (253.1317)


   

4-Methylene-2-octyl-5-oxotetrahydrofuran-3-carboxyllate

4-Methylene-2-octyl-5-oxotetrahydrofuran-3-carboxyllate

C14H21O4- (253.144)


   

Fenapanil

alpha-butyl-alpha-phenyl-1H-imidazole-1-propiononitrile

C16H19N3 (253.1579)


   

4-(4-Dimethylaminostyryl)-1-ethylpyridinium

4-(4-Dimethylaminostyryl)-1-ethylpyridinium

C17H21N2+ (253.1705)


   

2-Phenyl-5-(1-piperidinyl)-4-triazolecarbonitrile

2-Phenyl-5-(1-piperidinyl)-4-triazolecarbonitrile

C14H15N5 (253.1327)


   

2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium

2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium

C17H21N2+ (253.1705)


   

N-tert-butyl-1,2-dihydroacenaphthylene-5-carboxamide

N-tert-butyl-1,2-dihydroacenaphthylene-5-carboxamide

C17H19NO (253.1467)


   

N2,N4-ditert-butyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine

N2,N4-ditert-butyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine

C11H23N7 (253.2015)


   

4-[4-(4-Fluorophenoxy)butyl]morpholine

4-[4-(4-Fluorophenoxy)butyl]morpholine

C14H20FNO2 (253.1478)


   

2-Tert-butyl-9-methyl-1,2,3,4-tetrahydroacridine

2-Tert-butyl-9-methyl-1,2,3,4-tetrahydroacridine

C18H23N (253.183)


   

Trimethyl-[2-oxo-2-[(2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]ethyl]ammonium

Trimethyl-[2-oxo-2-[(2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]ethyl]ammonium

C15H29N2O+ (253.228)


   

An alpha-mycolate

An alpha-mycolate

C15H25O3- (253.1804)


   

Neutral red cation

Neutral red cation

C15H17N4+ (253.1453)


   

Silanamine, 1,1,1-trimethyl-N-[3-[(trimethylsilyl)oxy]phenyl]-

Silanamine, 1,1,1-trimethyl-N-[3-[(trimethylsilyl)oxy]phenyl]-

C12H23NOSi2 (253.1318)


   

Hexadecenoate

Hexadecenoate

C16H29O2 (253.2167)


A long-chain unsaturated fatty acid anion that is the conjugate base of hexadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

cyclo(Pro-Arg)

cyclo(Pro-Arg)

C11H19N5O2 (253.1539)


A homodetic cyclic peptide resulting from the formal condensation of both the amino and acid groups of proline with the acid and amino groups of arginine. It is found in the deep-sea sponge Geodia barretti.

   
   
   

Adenine (hemisulfate)

Adenine (hemisulfate)

C5H5N5.1/2H2SO4 (253.1784)


Adenine hemisulfate (6-Aminopurine hemisulfate), a purine, is one of the four nucleobases in the nucleic acid of DNA. Adenine hemisulfate acts as a chemical component of DNA and RNA. Adenine hemisulfate also plays an important role in biochemistry involved in cellular respiration, the form of both ATP and the cofactors (NAD and FAD), and protein synthesis[1][2]. Adenine hemisulfate (6-Aminopurine hemisulfate), a purine, is one of the four nucleobases in the nucleic acid of DNA. Adenine hemisulfate acts as a chemical component of DNA and RNA. Adenine hemisulfate also plays an important role in biochemistry involved in cellular respiration, the form of both ATP and the cofactors (NAD and FAD), and protein synthesis[1][2].

   

1-[(2r,6s)-6-[(2r)-2-hydroxypentyl]-1-methyl-5,6-dihydro-2h-pyridin-2-yl]butan-2-one

1-[(2r,6s)-6-[(2r)-2-hydroxypentyl]-1-methyl-5,6-dihydro-2h-pyridin-2-yl]butan-2-one

C15H27NO2 (253.2042)


   

4-[(1e)-but-1-en-1-yl]-5,6,8-trimethyl-1h,6h,7h,8h-cyclopenta[g]indole

4-[(1e)-but-1-en-1-yl]-5,6,8-trimethyl-1h,6h,7h,8h-cyclopenta[g]indole

C18H23N (253.183)


   

(10z)-5-ethyl-1-oxa-4-azacyclopentadec-10-en-15-one

(10z)-5-ethyl-1-oxa-4-azacyclopentadec-10-en-15-one

C15H27NO2 (253.2042)


   

n-{3-[(3s,8as)-1-hydroxy-4-oxo-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-3-yl]propyl}guanidine

n-{3-[(3s,8as)-1-hydroxy-4-oxo-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-3-yl]propyl}guanidine

C11H19N5O2 (253.1539)


   

3,5-bis(3-methylbut-2-en-1-yl)-1h-indole

3,5-bis(3-methylbut-2-en-1-yl)-1h-indole

C18H23N (253.183)


   

3,7-bis(3-methylbut-2-en-1-yl)-1h-indole

3,7-bis(3-methylbut-2-en-1-yl)-1h-indole

C18H23N (253.183)


   

1-[6-(2-hydroxypentyl)-1-methyl-5,6-dihydro-2h-pyridin-2-yl]butan-2-one

1-[6-(2-hydroxypentyl)-1-methyl-5,6-dihydro-2h-pyridin-2-yl]butan-2-one

C15H27NO2 (253.2042)


   

2-methyl-1-(pyrrolidin-1-yl)decane-1,3-dione

2-methyl-1-(pyrrolidin-1-yl)decane-1,3-dione

C15H27NO2 (253.2042)


   

n-(3-{1-hydroxy-4-oxo-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-3-yl}propyl)guanidine

n-(3-{1-hydroxy-4-oxo-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-3-yl}propyl)guanidine

C11H19N5O2 (253.1539)


   

4-(1,5-dihydroxyhex-2-en-1-ylidene)-5-hydroxy-2-isopropyl-2h-pyrrol-3-one

4-(1,5-dihydroxyhex-2-en-1-ylidene)-5-hydroxy-2-isopropyl-2h-pyrrol-3-one

C13H19NO4 (253.1314)


   

(2e)-n-[(2r)-2-ethyl-5-methyl-3-oxofuran-2-yl]-5-hydroxy-3-methylpent-2-enimidic acid

(2e)-n-[(2r)-2-ethyl-5-methyl-3-oxofuran-2-yl]-5-hydroxy-3-methylpent-2-enimidic acid

C13H19NO4 (253.1314)


   

(1s,2s,8r,11r,14r)-14-hydroxy-12,12-dimethyl-9,13-dioxa-6-azatetracyclo[6.6.0.0¹,¹¹.0²,⁶]tetradecan-10-one

(1s,2s,8r,11r,14r)-14-hydroxy-12,12-dimethyl-9,13-dioxa-6-azatetracyclo[6.6.0.0¹,¹¹.0²,⁶]tetradecan-10-one

C13H19NO4 (253.1314)


   

n-{3-[(3s,8ar)-1-hydroxy-4-oxo-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-3-yl]propyl}guanidine

n-{3-[(3s,8ar)-1-hydroxy-4-oxo-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-3-yl]propyl}guanidine

C11H19N5O2 (253.1539)


   

14-hydroxy-12,12-dimethyl-9,13-dioxa-6-azatetracyclo[6.6.0.0¹,¹¹.0²,⁶]tetradecan-10-one

14-hydroxy-12,12-dimethyl-9,13-dioxa-6-azatetracyclo[6.6.0.0¹,¹¹.0²,⁶]tetradecan-10-one

C13H19NO4 (253.1314)


   

(2s,3s,4s,9'as)-3-hydroxy-4-methyl-hexahydro-1'h-spiro[oxolane-2,9'-pyrrolo[1,2-a]azepine]-3',5-dione

(2s,3s,4s,9'as)-3-hydroxy-4-methyl-hexahydro-1'h-spiro[oxolane-2,9'-pyrrolo[1,2-a]azepine]-3',5-dione

C13H19NO4 (253.1314)


   

(7z,9e)-2-hydroxy-n-(2-methylpropyl)undeca-7,9-dienimidic acid

(7z,9e)-2-hydroxy-n-(2-methylpropyl)undeca-7,9-dienimidic acid

C15H27NO2 (253.2042)


   

n-[1-(4-methoxy-6-oxopyran-2-yl)-3-methylbutyl]ethanimidic acid

n-[1-(4-methoxy-6-oxopyran-2-yl)-3-methylbutyl]ethanimidic acid

C13H19NO4 (253.1314)


   

1-(hydroxymethyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-5-ol

1-(hydroxymethyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-5-ol

C13H19NO4 (253.1314)


   

(4s)-4,5-dihydroxy-4-[(2e)-5-hydroxyhex-2-en-1-yl]-2-(propan-2-ylidene)pyrrol-3-one

(4s)-4,5-dihydroxy-4-[(2e)-5-hydroxyhex-2-en-1-yl]-2-(propan-2-ylidene)pyrrol-3-one

C13H19NO4 (253.1314)


   

n-[(1s)-1-(4-methoxy-6-oxopyran-2-yl)-3-methylbutyl]ethanimidic acid

n-[(1s)-1-(4-methoxy-6-oxopyran-2-yl)-3-methylbutyl]ethanimidic acid

C13H19NO4 (253.1314)


   

n-[(1s,2s)-1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]ethanimidic acid

n-[(1s,2s)-1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]ethanimidic acid

C13H19NO4 (253.1314)


   

3,6-bis(3-methylbut-2-en-1-yl)-1h-indole

3,6-bis(3-methylbut-2-en-1-yl)-1h-indole

C18H23N (253.183)


   

(4e)-5-hydroxy-4-(1-hydroxydecylidene)-2h-pyrrol-3-one

(4e)-5-hydroxy-4-(1-hydroxydecylidene)-2h-pyrrol-3-one

C14H23NO3 (253.1678)


   

(2e)-n-[(2s)-2-ethyl-5-methyl-3-oxofuran-2-yl]-5-hydroxy-3-methylpent-2-enimidic acid

(2e)-n-[(2s)-2-ethyl-5-methyl-3-oxofuran-2-yl]-5-hydroxy-3-methylpent-2-enimidic acid

C13H19NO4 (253.1314)


   

n-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]ethanimidic acid

n-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]ethanimidic acid

C13H19NO4 (253.1314)


   

5,6,7,8-tetramethoxy-1,2,3,4-tetrahydroisoquinoline

5,6,7,8-tetramethoxy-1,2,3,4-tetrahydroisoquinoline

C13H19NO4 (253.1314)


   

(2s,4e)-4-[(2e)-1,5-dihydroxyhex-2-en-1-ylidene]-5-hydroxy-2-isopropyl-2h-pyrrol-3-one

(2s,4e)-4-[(2e)-1,5-dihydroxyhex-2-en-1-ylidene]-5-hydroxy-2-isopropyl-2h-pyrrol-3-one

C13H19NO4 (253.1314)


   

5-(1-methylpiperidin-2-yl)-2,3'-bipyridine

5-(1-methylpiperidin-2-yl)-2,3'-bipyridine

C16H19N3 (253.1579)


   

4,5-dihydroxy-4-(5-hydroxyhex-2-en-1-yl)-2-(propan-2-ylidene)pyrrol-3-one

4,5-dihydroxy-4-(5-hydroxyhex-2-en-1-yl)-2-(propan-2-ylidene)pyrrol-3-one

C13H19NO4 (253.1314)