Exact Mass: 281.0852

Exact Mass Matches: 281.0852

Found 83 metabolites which its exact mass value is equals to given mass value 281.0852, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Nitrazepam

1, 3-Dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one

C15H11N3O3 (281.08)


Nitrazepam is only found in individuals that have used or taken this drug. It is a benzodiazepine derivative used as an anticonvulsant and hypnotic.Nitrazepam belongs to a group of medicines called benzodiazepines. It acts on benzodiazepine receptors in the brain which are associated with the GABA receptors causing an enhanced binding of GABA (gamma amino butyric acid) to GABAA receptors. GABA is a major inhibitory neurotransmitter in the brain, involved in inducing sleepiness, muscular relaxation and control of anxiety and fits, and slows down the central nervous system. The anticonvulsant properties of nitrazepam and other benzodiazepines may be in part or entirely due to binding to voltage-dependent sodium channels rather than benzodiazepine receptors. Sustained repetitive firing seems to be limited by benzodiazepines effect of slowing recovery of sodium channels from inactivation. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants CONFIDENCE standard compound; EAWAG_UCHEM_ID 3683

   

albendazole S-oxide

N-[6-(propane-1-sulfinyl)-1H-1,3-benzodiazol-2-yl]methoxycarboximidic acid

C12H15N3O3S (281.0834)


Albendazole s-oxide is part of the Steroid hormone biosynthesis, Linoleic acid metabolism, Retinol metabolism, and Bile secretion pathways. It is a substrate for: Cytochrome P450 3A4. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent

   

Propetamphos

2-Butenoic acid, 3-[[(ethylamino)methoxyphosphinothioyl]oxy]-, 1-methylethyl ester, (2E)-

C10H20NO4PS (281.0851)


CONFIDENCE standard compound; INTERNAL_ID 1333; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4537; ORIGINAL_PRECURSOR_SCAN_NO 4534 CONFIDENCE standard compound; INTERNAL_ID 1333; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4528; ORIGINAL_PRECURSOR_SCAN_NO 4524 CONFIDENCE standard compound; INTERNAL_ID 1333; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4548; ORIGINAL_PRECURSOR_SCAN_NO 4544

   

4-Hydroxyphenylacetylglutamic acid

(2S)-2-{[1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino}pentanedioate

C13H15NO6 (281.0899)


Involved in tyrosine and phenylalanine metabolism. [HMDB] Involved in tyrosine and phenylalanine metabolism.

   

9-Riburonosyladenine

b-D-Ribofuranuronic acid,1-(6-amino-9H-purin-9-yl)-1-deoxy-

C10H11N5O5 (281.076)


   
   

Fenitropan

1-Phenyl-2-nitro-1,3-diacetoxypropane

C13H15NO6 (281.0899)


   

Hydroxyalbendazole

Hydroxyalbendazole

C12H15N3O3S (281.0834)


A member of the class of benzimidazoles that is albendazole in which one of the terminal methyl hydrogens on the propyl group has been replaced by a hydroxy group.

   

Propan-2-yl 3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate

propan-2-yl 3-{[(ethylamino)(methoxy)sulfanylidene-lambda5-phosphanyl]oxy}but-2-enoate

C10H20NO4PS (281.0851)


   
   

L-O-caffeoylhomoserine

L-O-caffeoylhomoserine

C13H15NO6 (281.0899)


   

CHEMBL2337113

CHEMBL2337113

C15H11N3O3 (281.08)


   
   

Albendazole oxide

Albendazole sulfoxide

C12H15N3O3S (281.0834)


D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent CONFIDENCE standard compound; INTERNAL_ID 1060

   

nitrazepam

nitrazepam

C15H11N3O3 (281.08)


A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one which is substituted at positions 5 and 7 by phenyl and nitro groups, respectively. It is used as a hypnotic for the short-term management of insomnia and for the treatment of epileptic spasms in infants (Wests syndrome). D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants CONFIDENCE standard compound; INTERNAL_ID 1535

   

CAY10550

2,4-dihydro-5-(4-nitrophenyl)-2-phenyl-3H-pyrazol-3-one

C15H11N3O3 (281.08)


   

N-Succinyl-L-Tyrosine

N-Succinyl-L-Tyrosine

C13H15NO6 (281.0899)


   

Benzyl 4-(chlorocarbonyl)-1-piperidinecarboxylate

Benzyl 4-(chlorocarbonyl)-1-piperidinecarboxylate

C14H16ClNO3 (281.0819)


   

Benzodepa

Carbamic acid,N-[bis(1-aziridinyl)phosphinyl]-, phenylmethyl ester

C12H16N3O3P (281.0929)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent

   

Benzenaminium, N,N,N-trimethyl-, hexafluorophosphate(1-)

Benzenaminium, N,N,N-trimethyl-, hexafluorophosphate(1-)

C9H14F6NP (281.0768)


   

2-(2-Formyl-4-nitrophenoxy)hexanoic acid

2-(2-Formyl-4-nitrophenoxy)hexanoic acid

C13H15NO6 (281.0899)


   

Ethyl 2-(2-ethoxy-2-oxoethyl)-4-nitrobenzoate

Ethyl 2-(2-ethoxy-2-oxoethyl)-4-nitrobenzoate

C13H15NO6 (281.0899)


   
   

4-ETHOXYCARBONYLMETHYL-3-NITRO-BENZOIC ACID ETHYL ESTER

4-ETHOXYCARBONYLMETHYL-3-NITRO-BENZOIC ACID ETHYL ESTER

C13H15NO6 (281.0899)


   

1,3-dimethyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-1,3-diazinane-2,4,6-trione

C12H15N3O3S (281.0834)


   

4-(3-TRIFLUOROMETHYL-PHENOXY)-PIPERIDINE HYDROCHLORIDE

4-(3-TRIFLUOROMETHYL-PHENOXY)-PIPERIDINE HYDROCHLORIDE

C12H15ClF3NO (281.0794)


   

N-Morpholinothio Phthaldamide

N-Morpholinothio Phthaldamide

C12H15N3O3S (281.0834)


   

Diethyl (4-nitrophenyl)malonate

Diethyl (4-nitrophenyl)malonate

C13H15NO6 (281.0899)


   

N-(3-fluorophenyl)-3-hydroxynaphthalene-2-carboxamide

N-(3-fluorophenyl)-3-hydroxynaphthalene-2-carboxamide

C17H12FNO2 (281.0852)


   

2-(3-Quinolinyl)aniline

2-(3-Quinolinyl)aniline

C12H15ClF3NO (281.0794)


   

5-Benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole

5-Benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole

C15H11N3O3 (281.08)


   

3-benzylhydroxy-2,6-dihydroxymethylpyridine hydrochloride

3-benzylhydroxy-2,6-dihydroxymethylpyridine hydrochloride

C14H16ClNO3 (281.0819)


   
   

1-(3-TRIFLUOROMETHYLBIPHENYL-3-YL)ETHANONE

1-(3-TRIFLUOROMETHYLBIPHENYL-3-YL)ETHANONE

C12H15N3O3S (281.0834)


   
   

4-chloro-N-[1-(N-hydroxycarbamimidoyl)cyclopentyl]benzamide

4-chloro-N-[1-(N-hydroxycarbamimidoyl)cyclopentyl]benzamide

C13H16ClN3O2 (281.0931)


   

4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol()

4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol()

C12H15N3O3S (281.0834)


   

2-(N-(4-CHLOROPHENYL)CARBAMOYL)CYCLOHEXANECARBOXYLIC ACID

2-(N-(4-CHLOROPHENYL)CARBAMOYL)CYCLOHEXANECARBOXYLIC ACID

C14H16ClNO3 (281.0819)


   

N-Cyclopropyl-N-methyl-1,2,3,4-tetrahydro-2-naphthalenamine hydro bromide (1:1)

N-Cyclopropyl-N-methyl-1,2,3,4-tetrahydro-2-naphthalenamine hydro bromide (1:1)

C14H20BrN (281.0779)


   
   

3-Chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

3-Chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C13H14BClFNO2 (281.079)


   

1-BENZYLOXYCARBONYLPIPERIDINE-3-CARBONYLCHLORIDE

1-BENZYLOXYCARBONYLPIPERIDINE-3-CARBONYLCHLORIDE

C14H16ClNO3 (281.0819)


   

4-[3-(Trifluoromethyl)phenyl]-4-piperidinol hydrochloride

4-[3-(Trifluoromethyl)phenyl]-4-piperidinol hydrochloride

C12H15ClF3NO (281.0794)


   

2-(TRIFLUOROMETHYL)-6,11-DIHYDRO-5H-BENZO[B]PYRIDO[2,3-E][1,4]DIAZEPIN-7-OL

2-(TRIFLUOROMETHYL)-6,11-DIHYDRO-5H-BENZO[B]PYRIDO[2,3-E][1,4]DIAZEPIN-7-OL

C13H10F3N3O (281.0776)


   

1-ISOPENTYL-7-(METHYLTHIO)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE

1-ISOPENTYL-7-(METHYLTHIO)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE

C12H15N3O3S (281.0834)


   

1-ALLYL-7-PHENYL-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE

1-ALLYL-7-PHENYL-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE

C15H11N3O3 (281.08)


   

5-piperazin-1-yl-1-benzofuran-2-carboxamide,hydrochloride

5-piperazin-1-yl-1-benzofuran-2-carboxamide,hydrochloride

C13H16ClN3O2 (281.0931)


   

(6-Chloro-1H-benzoimidazol-2-ylmethyl)-carbamic acid tert-butyl ester

(6-Chloro-1H-benzoimidazol-2-ylmethyl)-carbamic acid tert-butyl ester

C13H16ClN3O2 (281.0931)


   

2-(1,3-diethoxy-1,3-dioxopropan-2-yl)pyridine-3-carboxylic acid

2-(1,3-diethoxy-1,3-dioxopropan-2-yl)pyridine-3-carboxylic acid

C13H15NO6 (281.0899)


   

4-[2-(Trifluoromethyl)phenoxy]piperidine hydrochloride

4-[2-(Trifluoromethyl)phenoxy]piperidine hydrochloride

C12H15ClF3NO (281.0794)


   

Boronic acid, B-[4-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]phenyl]

Boronic acid, B-[4-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]phenyl]

C15H12BNO4 (281.0859)


   

ETHYL 3-HYDROXY-4,6-DIMETHOXY-2-OXOINDOLINE-3-CARBOXYLATE

ETHYL 3-HYDROXY-4,6-DIMETHOXY-2-OXOINDOLINE-3-CARBOXYLATE

C13H15NO6 (281.0899)


   

Diethyl (2-nitrophenyl)malonate

Diethyl (2-nitrophenyl)malonate

C13H15NO6 (281.0899)


   

Z-ASP(OME)-OH

Z-ASP(OME)-OH

C13H15NO6 (281.0899)


   

1-Butylpyridinium hexafluorophosphate

1-Butylpyridinium hexafluorophosphate

C9H14F6NP (281.0768)


   

4-(4-(trifluoromethoxy)phenyl)piperidine hydrochloride

4-(4-(trifluoromethoxy)phenyl)piperidine hydrochloride

C12H15ClF3NO (281.0794)


   
   
   

5-Acetyl-2-chloro-1-cyclopentyl-1,6-dihydro-4-methyl-6-oxo-3-pyridinecarboxaldehyde

5-Acetyl-2-chloro-1-cyclopentyl-1,6-dihydro-4-methyl-6-oxo-3-pyridinecarboxaldehyde

C14H16ClNO3 (281.0819)


   

1-BOC-4-CHLORO-3-HYDROXYMETHYLINDOLE

1-BOC-4-CHLORO-3-HYDROXYMETHYLINDOLE

C14H16ClNO3 (281.0819)


   

Boronic acid, B-​[3-​[(1,​3-​dihydro-​1,​3-​dioxo-​2H-​isoindol-​2-​yl)​methyl]​phenyl]​-

Boronic acid, B-​[3-​[(1,​3-​dihydro-​1,​3-​dioxo-​2H-​isoindol-​2-​yl)​methyl]​phenyl]​-

C15H12BNO4 (281.0859)


   
   

(S)-albendazole S-oxide

(S)-albendazole S-oxide

C12H15N3O3S (281.0834)


   

(R)-albendazole S-oxide

(R)-albendazole S-oxide

C12H15N3O3S (281.0834)


   

2-(1H-benzimidazol-2-yl)-1-(3-nitrophenyl)ethanone

2-(1H-benzimidazol-2-yl)-1-(3-nitrophenyl)ethanone

C15H11N3O3 (281.08)


   

(R)-(+)9B-(3-Methyl)phenyl-2,3-dihydrothiazolo[2,3-A]isoindol-5(9BH)-one

(R)-(+)9B-(3-Methyl)phenyl-2,3-dihydrothiazolo[2,3-A]isoindol-5(9BH)-one

C17H15NOS (281.0874)


   

6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid

6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid

C14H13F2NO3 (281.0863)


   

1-(3,5-Dimethyl-isoxazol-4-ylmethyl)-2,3-dioxo-2,3-dihydro-1H-indole-5-carbonitrile

1-(3,5-Dimethyl-isoxazol-4-ylmethyl)-2,3-dioxo-2,3-dihydro-1H-indole-5-carbonitrile

C15H11N3O3 (281.08)


   

N-(1-cyano-3-pyrrolidinyl)-3-methoxybenzenesulfonamide

N-(1-cyano-3-pyrrolidinyl)-3-methoxybenzenesulfonamide

C12H15N3O3S (281.0834)


   
   
   

(1E)-1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one

(1E)-1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one

C13H16ClN3O2 (281.0931)


   

4-Hydroxyphenylacetylglutamate

4-Hydroxyphenylacetylglutamate

C13H15NO6 (281.0899)


   

TFAP

TFAP

C13H10F3N3O (281.0776)


TFAP is a selective cyclooxygenase-1 (COX-1) inhibitor, with an IC50 of 0.8 μM.

   

(2s)-2-amino-4-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanoic acid

(2s)-2-amino-4-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanoic acid

C13H15NO6 (281.0899)


   

2-amino-4-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanoic acid

2-amino-4-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanoic acid

C13H15NO6 (281.0899)


   

1-[3-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone

1-[3-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]ethanone; 1-[3-methoxy-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]ethanone; 1-[3-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]ethanone; 1-[3-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]ethanone

C12H15N3O3S (281.0834)


{"Ingredient_id": "HBIN001254","Ingredient_name": "1-[3-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone","Alias": "1-[3-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]ethanone; 1-[3-methoxy-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]ethanone; 1-[3-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]ethanone; 1-[3-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]ethanone","Ingredient_formula": "C12H15N3O3S","Ingredient_Smile": "NA","Ingredient_weight": "281.33","OB_score": "17.46586102","CAS_id": "57269-28-0","SymMap_id": "SMIT04984","TCMID_id": "NA","TCMSP_id": "MOL002801","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

methyl 3-(4,5,6-trihydroxy-7-methyl-1-oxo-3h-isoindol-2-yl)propanoate

methyl 3-(4,5,6-trihydroxy-7-methyl-1-oxo-3h-isoindol-2-yl)propanoate

C13H15NO6 (281.0899)


   

(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-2-ethyl-4-sulfanyloxolan-3-ol

(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-2-ethyl-4-sulfanyloxolan-3-ol

C11H15N5O2S (281.0946)


   

6-hydroxy-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-iminopurin-8-one

6-hydroxy-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-iminopurin-8-one

C10H11N5O5 (281.076)


   

7-(2-carboxyethyl)-9-hydroxy-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid

7-(2-carboxyethyl)-9-hydroxy-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid

C13H15NO6 (281.0899)


   

6-(methoxycarbonyl)phenazine-1-carboximidic acid

6-(methoxycarbonyl)phenazine-1-carboximidic acid

C15H11N3O3 (281.08)


   

methyl (2s)-2-(4,5,6-trihydroxy-7-methyl-1-oxo-3h-isoindol-2-yl)propanoate

methyl (2s)-2-(4,5,6-trihydroxy-7-methyl-1-oxo-3h-isoindol-2-yl)propanoate

C13H15NO6 (281.0899)