Exact Mass: 245.09826339999998
Exact Mass Matches: 245.09826339999998
Found 500 metabolites which its exact mass value is equals to given mass value 245.09826339999998,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Haplopine
Haplopine is an oxacycle, an organonitrogen heterocyclic compound and an organic heterotricyclic compound. Haplopine is a natural product found in Haplophyllum bucharicum, Haplophyllum cappadocicum, and other organisms with data available.
Proglinazine
C8H12ClN5O2 (245.06794820000002)
Asparaginylhydroxyproline
C9H15N3O5 (245.10116599999998)
Asparaginylhydroxyproline is a dipeptide composed of asparagine and hydroxyproline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Hydroxyprolyl-Asparagine
C9H15N3O5 (245.10116599999998)
Hydroxyprolyl-Asparagine is a dipeptide composed of hydroxyproline and asparagine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
N-Phenylacetyl pyroglutamic acid
N-Phenylacetyl pyroglutamic acid belongs to the family of Phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
5'-Deoxy-5-fluorocytidine
5-Deoxy-5-fluorocytidine is a metabolite of capecitabine. Capecitabine (Xeloda, Roche) is an orally-administered chemotherapeutic agent used in the treatment of metastatic breast and colorectal cancers. Capecitabine is a prodrug, that is enzymatically converted to 5-fluorouracil in the tumor, where it inhibits DNA synthesis and slows growth of tumor tissue. (Wikipedia)
OR-1896
OR-1896 is a metabolite of levosimendan. Levosimendan is a calcium sensitiser used in the management of acutely decompensated congestive heart failure. It is marketed under the trade name Simdax. (Wikipedia)
3-Oxobutanoylcarnitine
3-oxobutanoylcarnitine is an acylcarnitine. More specifically, it is an 3-oxobutanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-oxobutanoylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 3-oxobutanoylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
[(1R,5R)-5-(6-Aminopurin-9-yl)cyclohex-3-en-1-yl]methanol
5-Fluoro-2'-deoxycytidine
2'-Deoxy-2'-fluorocytidine
3-Aminobenzanthrone
6-Azauridine
(R)-2-(4-(Tert-butoxycarbonyl)morpholin-3-yl)acetic acid
N-[4-(4-Methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
1-Pyrrolidinecarboxaldehyde, 3-(1,3-benzodioxol-5-ylmethylene)-2-oxo-
(1R,2S,3R)-1-[(2E)-2-(1-Nitrosoethylidene)-1,3-dihydroimidazol-4-yl]butane-1,2,3,4-tetrol
C9H15N3O5 (245.10116599999998)
4-(E)-Ethyl-2-((E)-hydroxyimino)-5-nitro-3-hexeneamide
C9H15N3O5 (245.10116599999998)
5-DFCR (Deoxy-5-fluorocytidine)
N-Hexamethylene N',N'-diethylene thiophosphoramide
L-Tyrosine ethyl ester hydrochloride
It is used as a food additive .
indole-3-acetyl-alanine
Indole-3-acetyl-alanine is also known as iaa-ala. Indole-3-acetyl-alanine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-alanine can be found in a number of food items such as yellow pond-lily, bean, black cabbage, and italian sweet red pepper, which makes indole-3-acetyl-alanine a potential biomarker for the consumption of these food products.
4-Acetamidoantipyrin
A member of the class of pyrazoles that is antipyrine substituted by an acetylamino group at position 4. It is a drug metabolite of metamizole. CONFIDENCE standard compound; INTERNAL_ID 2001 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1010 CONFIDENCE standard compound; INTERNAL_ID 4082 CONFIDENCE standard compound; EAWAG_UCHEM_ID 236
N-(4-chlorophenyl)-2-phenylacetamide
C14H12ClNO (245.06073719999998)
2-(Hydroxysulfanyl)hercynine; Nalpha,Nalpha,Nalpha-Trimethyl-2-(hydroxysulfanyl)-L-histidine; 2-Sulfenohercynine
1,6-dihydro-6-imino-1,7-dimethyl-3-((E)-3-methylbuta-1,3-dienyl)-3H-purin-2(7H)-one|dioicine
3-(3-phenylpropanoyl)-7-oxa-3-aza-bicyclo[4.1.0]heptan-2-one|kaousine
3-hydroxy-4-methoxy-[2,2]bipyridinyl-6-carbaldehyde oxime|Caerulomycin B
Acetic acid [2,3-dimethyl-4-oxoquinolin-1(4H)-yl]methyl ester
5-(1H-indol-3-yl)-5-methoxyimidazolidine-2,4-dione
2-(((3,4,5)-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxymethyl)acrylonitrile
3-(4-hydroxyphenyl)-4-isobutyl-1h-pyrrole-2,5-dione
6-AZAURIDINE
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2170 - Orotidylate Decarboxylase Inhibitor D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D003879 - Dermatologic Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.055 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.052 6-Azuridine (6-Azauridine) is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
2,3-Dihydro-6-Methoxy-4-Methyl-2-Hydroxyethylfuro[3,2-c]quinoline
FEN_246.1101_16.1
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 604
C12H11N3O3_[2,2-Bipyridine]-6-carboxamide, 3-hydroxy-4-methoxy
Asn-hpro
C9H15N3O5 (245.10116599999998)
Hpro-asn
C9H15N3O5 (245.10116599999998)
4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]benzoic acid
(4-Amino-2-chlorophenyl)(2-methylphenyl)methanone
C14H12ClNO (245.06073719999998)
1H-Imidazole-4-carboxylicacid,5-[[(3-methylphenyl)amino]carbonyl]-(9CI)
4-(2-(Dimethylamino)ethoxy)benzoic acid hydrochloride
2-CHLORO-3-FLUOROPHENYL N,N-DIETHYLCARBAMATE
C11H13ClFNO2 (245.06188000000003)
2,2-dimethyl-5-nitrobenzimidazole,trihydrate
C9H15N3O5 (245.10116599999998)
2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione
ethyl 5-(4-aminophenyl)-2-methylfuran-3-carboxylate
N-[(2-fluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
C15H16FNO (245.12158579999996)
6-METHOXY-2-METHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine
C15H16FNO (245.12158579999996)
tert-Butyl 4-carbamothioylpiperazine-1-carboxylate
1-Phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
C15H16ClN (245.09712059999998)
2-[(1-methylpyrazole-3-carbonyl)amino]benzoic acid
5-[(THIOPHEN-2-YLMETHYL)-AMINO]-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONE
C12H11N3OS (245.06227959999998)
benzyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
(2S,4S)-1-(tert-Butoxycarbonyl)-4-methoxypyrrolidine-2-carboxylic acid
(S)-2-(4-(tert-Butoxycarbonyl)morpholin-3-yl)acetic acid
(R)-3-METHYL-1-(3-(TRIFLUOROMETHYL)PYRIDIN-2-YL)PIPERAZINE
ethyl 4-hydroxy-2-pyridin-4-ylpyrimidine-5-carboxylate
ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
6-BENZYL-4-CHLORO-6,7-DIHYDRO-5H-PYRROLO[3,4-D]PYRIMIDINE
C13H12ClN3 (245.07197019999998)
2-Acetoxy-N,N,N-trimethylethanaminium perchlorate
C7H16ClNO6 (245.06661060000002)
R-(-)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide
Benzoicacid, 4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, ethyl ester
1-Naphthalenecarboxylicacid, 5-nitro-, ethyl ester
2-(METHYLTHIO)-4-(PHENYLAMINO)PYRIMIDINE-5-CARBALDEHYDE
C12H11N3OS (245.06227959999998)
methyl 6-(dimethylamino)-4-hydroxynaphthalene-2-carboxylate
Benzenepropanoic acid, a-(2-cyanoethyl)-b-oxo-, ethyl ester
3-(2-HYDROXY-4,6-DIMETHYL-QUINOLIN-3-YL)-PROPIONIC ACID
TERT-BUTYL 3-(ETHOXYCARBONYL)-2-OXOPROPYLCARBAMATE
5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-ol,hydrochloride
alpha-methyl-dl-tyrosine methyl ester hydrochloride
α-Methyltyrosine methyl ester hydrochloride is a competitive tyrosine hydroxylase inhibitor that inhibits the conversion of tyrosine to dopamine. α-Methyltyrosine methyl ester hydrochloride can be used as a tool for sympathetic nervous system research[1].
5-(Acetylamino)-1-phenyl-1H-pyrazole-4-carboxylic acid
Benzyl 2-methyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
(2S,4R)-1-(tert-Butoxycarbonyl)-4-hydroxyhexahydro-2-pyridinecarboxylic acid
Ribavirin Carboxylic Acid
A 1-ribosyltriazole that is ribavirin in which the carbamoyl group at position 3 is replaced by a carboxy group. It is a catabolite and impurity of ribavirin. Ribavirin carboxylic acid (TR-COOH) is a metabolite of Ribavirin (HY-B0434), Ribavirin has strong antiviral activity[1].
METHYL 2-HYDROXY-4-ISOPROPYL-3-QUINOLINECARBOXYLATE
METHYL 1-(4-METHOXYBENZYL)-1H-PYRROLE-2-CARBOXYLATE
1-(TERT-BUTOXYCARBONYL)-3-HYDROXYPIPERIDINE-4-CARBOXYLIC ACID
2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile
3-AMINO-3-(2-METHOXY-NAPHTHALEN-1-YL)-PROPIONIC ACID
tert-butyl N-(3-chloro-4-fluorophenyl)carbamate
C11H13ClFNO2 (245.06188000000003)
1-Tert-butyl2-Methyl4-hydroxypyrrolidine-1,2-dicarboxylate
2,2-dimethyl-2,3-dihydro-1H,10H-phenothiazin-4-one
C14H15NOS (245.08742999999998)
5-HYDRAZINOCARBONYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID PHENYLAMIDE
4-AMINO-2-BENZYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE
C12H11N3OS (245.06227959999998)
2-Deoxy-5-fluorcytidine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite 5-Fluoro-2'-deoxycytidine, a fluoropyrimidine nucleoside analogue, is a DNA methyltransferase (DNMT) inhibitor. 5-Fluoro-2'-deoxycytidine is a tumor-selective proagent of the potent thymidylate synthase inhibitor 5-fluoro-2′-dUMP[1][2].
(2S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(HYDROXYMETHYL)PYRROLIDINE-2-CARBOXYLIC ACID
(4-FLUORO-BENZYL)-(4-METHOXY-BENZYL)-AMINE
C15H16FNO (245.12158579999996)
(2S,3R)-1-tert-Butyl 2-methyl 3-hydroxypyrrolidine-1,2-dicarboxylate
2-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
6-Amino-4-cyanopyridine-3-boronic acid pinacol ester
1-(4-methoxyphenyl)-2-(trifluoromethyl)pyrrolidine
(S)-3-(TERT-BUTOXYCARBONYL)-2,2-DIMETHYLOXAZOLIDINE-4-CARBOXYLIC ACID
(2S)-1-TERT-BUTYL 2-METHYL 5-HYDROXYPYRROLIDINE-1,2-DICARBOXYLATE
METHYL 4-(N-CYCLOPROPYLAMINOCARBONYL)CUBANECARBOXYLATE
Flumetramide
C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant
5-AMINO-1-P-TOLYL-1H-PYRAZOLE-4-CARBOXYLICACIDETHYLESTER
2-AMINO-3-(3-BENZYL-3H-IMIDAZOL-4-YL)-PROPIONIC ACID
4-Phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
C15H16ClN (245.09712059999998)
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine hydrochloride
C11H21BClNO2 (245.13537860000002)
5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[3,4-b]pyridine
(6-METHYL-1H-BENZIMIDAZOL-2-YL)METHOXY]-ACETIC ACID
METHYL 2-BENZOYL-2-AZABICYCLO[2.1.1]HEXANE-1-CARBOXYLATE
3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine
5(4H)-Oxazolone,2-(2-acetylphenyl)-4-(1-methylethyl)-
Carbamic acid,N,N-dimethyl-, 3-methyl-1-phenyl-1H-pyrazol-5-yl ester
1H-Imidazole-4-carboxylicacid,5-[[(3-methylphenyl)amino]carbonyl]-,
benzyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate
ETHYL 1-BENZYL-5-METHYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE
(3-HYDROXYMETHYL-PYRROLIDIN-3-YL)-CARBAMICACIDTERT-BUTYLESTER
(4-chloro-2-fluoro-phenyl)-carbaMic acid tert-butyl ester
C11H13ClFNO2 (245.06188000000003)
2-Propenoic acid,3-(1,3-benzodioxol-5-yl)-2-cyano-, ethyl ester
Methyl trans-4-aminoadamantane-1-carboxylate hydrochloride
C12H20ClNO2 (245.11824900000002)
N-(2,2-DIMETHYLPROPANOYL)-3-(TRIFLUOROMETHYL)ANILINE
4-CHLORO-9-METHYL-2,9-DIHYDRO-1H-CARBAZOLE-3-CARBALDEHYDE
C14H12ClNO (245.06073719999998)
(4-chlorobenzyl)-(1-phenylethyl)amine
C15H16ClN (245.09712059999998)
ethyl 6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylate
2-[2-(aminomethyl)phenylthio]benzyl alcohol
C14H15NOS (245.08742999999998)
ETHYL 4-HYDROXY-7,8-DIMETHYLQUINOLINE-3-CARBOXYLATE
1-(tert-Butoxycarbonyl)-4-hydroxypiperidine-4-carboxylic acid
2-(2-Dimethylamino-ethoxy)-benzoic acid hydrochloride
ethyl 5-amino-1-(4-methylphenyl)-1h-pyrazole-4-carboxylate
5-AMINO-1-P-TOLYL-1H-PYRAZOLE-3-CARBOXYLICACIDETHYLESTER
(2S,3S)-1-(TERT-BUTOXYCARBONYL)-3-HYDROXYPYRROLIDINE-2-CARBOXYLICACIDMETHYLESTER
4-HYDROXY-6,8-DIMETHYLQUINOLINE-3-CARBOXYLICETHYLESTER
METHYL [5-METHYL-2-(4-METHYLPHENYL)-1,3-OXAZOL-4-YL]ACETATE
5(4H)-Oxazolone,2-phenyl-4-(tetrahydro-2H-pyran-4-yl)-
4-tert-Butyl 2-methyl morpholine-2,4-dicarboxylate
3-amino-3-(4-methoxynaphthalen-1-yl)propanoic acid
3-CARBOXYMETHOXY-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
5-BENZYL-4,5,6,7-TETRAHYDRO-THIAZOLO[5,4-C]PYRIDIN-2-YLAMINE
1-(TERT-BUTOXYCARBONYL)-4-HYDROXYPIPERIDINE-2-CARBOXYLIC ACID
1-METHYL-4-(5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)PIPERAZINE
(S)-4-METHYL-3-(4-TRIFLUOROMETHYLPHENYL)OXAZOLIDIN-2-ONE
benzyl 3-oxa-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
N-tert-butyl-2-fluoro-4-methylbenzenesulfonamide
C11H16FNO2S (245.08857279999998)
BENZYL-[1-(2-CHLOROPHENYL)ETHYL]AMINE
C15H16ClN (245.09712059999998)
4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
C14H15NOS (245.08742999999998)
ethyl 4-hydroxy-2-(2-pyridinyl)-5-pyrimidinecarboxylate
methyl 6-amino-deoxy-galactoyranoside hydrochloride
C7H16ClNO6 (245.06661060000002)
2-(3-(4-CYANOPHENYL)-2-OXOIMIDAZOLIDIN-1-YL)ACETIC ACID
(2S,4S)-1-tert-Butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate
2C-E (hydrochloride) (exempt preparation)
C12H20ClNO2 (245.11824900000002)
5-AZIDO-5-DEOXY-1,2-O-ISOPROPYLIDENE-BETA-D-FRUCTOSE
C9H15N3O5 (245.10116599999998)
4-ISOTHIOCYANATO-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE
C12H11N3OS (245.06227959999998)
N-(2-chlorobenzyl)-N-(1-phenylethyl)amine
C15H16ClN (245.09712059999998)
2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetic acid
(Z)-methyl 3-amino-4-(2,4,5-trifluorophenyl)but-2-enoate
4-[4-(TERT-BUTYL)-1,3-THIAZOL-2-YL]BENZALDEHYDE
C14H15NOS (245.08742999999998)
(2-AMINO-4-(ETHOXYCARBONYL)PHENYL)BORONIC ACID HYDROCHLORIDE
C9H13BClNO4 (245.06261179999998)
3-((4-FLUOROBENZYL)AMINO)BENZOIC ACID
C14H12FNO2 (245.08520240000001)
N-(4-fluorophenyl)-4-methoxy-benzamide
C14H12FNO2 (245.08520240000001)
1-(3,4-DIMETHOXYPHENYL)-2-(METHYLAMINO)ETHANONE HYDROCHLORIDE
1H-Benzo[d][1,2,3]triazol-5-ylboronic acid pinacol ester
1-tert-butyl 3-methyl 3-hydroxypyrrolidine-1,3-dicarboxylate
(R)-methyl N-tert-butoxycarbonylmorpholine-3-carboxylate
(2S,4S)-4-((TETRAHYDRO-2H-PYRAN-4-YL)METHYL)GLUTAMICACID
N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
C15H16FNO (245.12158579999996)
1-(6-METHOXY-7-METHYL-6H-[1,2,5]OXADIAZOLO[3,4-E]INDOL-8-YL)ETHANONE
2-Deoxy-2-fluorocytidine
2'-Deoxy-2'-fluorocytidine, an nucleoside analog, is a potent inhibitor of Crimean-Congo hemorrhagic fever virus (CCHFV) replication. 2′-deoxy-2′-fluorocytidine can act synergistically with T705 to increase the potency of both compounds antiviral effects on CCHFV replication[1].
(2R,4R)-4-Hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-piperidinecarboxylic acid
2-CYANO-6-METHOXYPHENYL BORONIC ACID NEOPENTYL GLYCOL ESTER
2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-6-methoxybenzonitrile
2-(2-ETHYL-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
4-hydroxy-5,8-dimethyl-quinoline-3-carboxylic acid ethyl ester
N-(4-Fluorophenyl)-2-(4-hydroxyphenyl)acetamide
C14H12FNO2 (245.08520240000001)
(3S,4R)-4-(4-Fluorophenyl)piperidine-3-Methanol Hydrochloride
C12H17ClFNO (245.09826339999998)
ethyl 2-((2-methyl-1h-indol-3-yl)methylene)hydrazinecarboxylate
3-hydroxy-1,2-Piperidinedicarboxylic acid 1-(1,1-diMethylethyl) ester
cis-4-AMino-1-Methoxycarbonyl AdaMantane Hydrochloride
C12H20ClNO2 (245.11824900000002)
N-2-Propynyl Rasagiline Hydrochloride
C15H15N.HCl (245.09712059999998)
1-[4-(3-METHYL[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL)PHENYL]METHANAMINE
METHYL (3S)-3-AMINO-3-(2-METHOXYPHENYL)PROPANOATE HYDROCHLORIDE
6-HYDROXY-7,8,9,10-TETRAHYDRO-6H-[1,2,5]OXADIAZOLO[4,3-C]CARBAZOL-3-IUM-3-OLATE
1,8-diamino-3,6-dimethoxy-2,7-naphthyridine-4-carbonitrile
Benzamide, N-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)- (9CI)
3-[(FURAN-2-CARBONYL)-AMINO]-2-METHYL-BENZOIC ACID
(3-((FURAN-2-YLMETHYL)CARBAMOYL)PHENYL)BORONIC ACID
5-(3-ACETYLAMINOPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
[1,2,4]triazolo[1,5-a]pyridine-6-boronic acid pinacol ester
ETHYL 1,6-DIHYDRO-6-OXO-2-(3-PYRIDINYL)-5-PYRIMIDINECARBOXYLATE
7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxylic acid
ETHYL 1-(4-AMINOPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE
6-(4-METHOXY-PHENYL)-2-OXO-1,2-DIHYDRO-PYRIDINE-3-CARBOXYLIC ACID
3-(5-(4-METHOXYPHENYL)-1H-PYRROL-2-YL)PROPANOIC ACID
4-HYDROXY-5,7-DIMETHYL-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
4-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-(4-ETHYLPHENYL)-,ETHYL ESTER
1-(4-(1,2,3,4-Tetrahydroxybutyl)-1H-imidazol-2-yl)ethanone oxime
C9H15N3O5 (245.10116599999998)
Centanafadine Hydrochloride
C15H16ClN (245.09712059999998)
C78272 - Agent Affecting Nervous System Centanafadine (hydrochloride) is dual norepinephrine (NE)/dopamine (DA) transporter inhibitor, also inhibits serotonin transporter, with IC50s of 6 nM, 38 nM and 83 nM for human NE, DA and serotonin transporter , respectively.
(R)-N-Acetyl-6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone
1-Pyrrolidinecarboxaldehyde, 3-(1,3-benzodioxol-5-ylmethylene)-2-oxo-
4-[2-(4-Methoxy-phenylsulfanyl)-ethyl]-pyridine
C14H15NOS (245.08742999999998)
4-nitro-3-(1H-pyrazol-4-yl)-5-(4-pyrazolylidene)-1,2-dihydropyrazole
4-(3-Ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
4-Pyrimidinamine, 2-methoxy-6-((4-methoxyphenyl)methyl)-
N-[(4-pyrimidinylthio)methyl]benzamide
C12H11N3OS (245.06227959999998)
Glycine, N-[N-(N-acetylglycyl)glycyl]-, methyl ester
C9H15N3O5 (245.10116599999998)
Methyl (3s)-3-[(Tert-Butoxycarbonyl)amino]-4-Oxopentanoate
4-(ethoxycarbonyl)-3,5-dimethyl-1-phenyl-1H-pyrazol-2-ium
C14H17N2O2+ (245.12899620000002)
N-[5-Hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxo-1-cyclohexen-1-yl]glycine
6-[2-Oxo-5-(sulfanylmethyl)imidazolidin-4-yl]hexanoate
(2S)-2-(2-carboxylatoethylamino)-5-(diaminomethylideneazaniumyl)pentanoate
(2S)-2-azaniumyl-5-{[(1S)-1-carboxylato-2-methylpropyl]amino}-5-oxopentanoate
(E,2Z)-4-ethyl-2-hydroxyimino-6-methoxy-5-nitrohex-3-enamide
C9H15N3O5 (245.10116599999998)
1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-imidazol-5-yl]butane-1,2,3,4-tetrol
C9H15N3O5 (245.10116599999998)
N-(1-(2-Thienyl)ethylidene)isonicotinohydrazide
C12H11N3OS (245.06227959999998)
N-(1,3-benzodioxol-5-yl)-5-methyl-2-furancarboxamide
N-(1,3-benzodioxol-5-yl)-2-methyl-3-pyrazolecarboxamide
4-(N-Maleimido)benzyltrimethylammonium
C14H17N2O2+ (245.12899620000002)
Acremolin B
An imidazopurine that is 4,5-dihydro-1H-imidazo[2,1-b]purine substituted by methyl, oxo, methyl, and isopropyl groups at positions 1, 4, 5, and 7, respectively. It is a natural product isolated from the deep-sea-derived fungus Aspergillus sp. SCSIO Ind09F01.
2-(Methylthio)-4-phenyl-6-propan-2-yl-1,3,5-triazine
2-[(2-Furanylmethylthio)methyl]imidazo[1,2-a]pyrimidine
C12H11N3OS (245.06227959999998)
4-[(3-Fluoro-4-methylanilino)methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
C14H12FNO2 (245.08520240000001)
2,2-dimethyl-3,4a-dihydro-1H-phenothiazin-4-one
C14H15NOS (245.08742999999998)
4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)but-2-enoic acid
2-[2-Oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethoxy]acetic acid
C9H15N3O5 (245.10116599999998)
2-[(E)-(3-methyl-4-oxonaphthalen-1-ylidene)amino]oxyacetic acid
(3E)-5-ethyl-3-[(N-methylanilino)methylidene]thiophen-2-one
C14H15NOS (245.08742999999998)
D-octopine(1-)
An D-alpha-amino acid anion arising from deprotonation of the carboxy groups and protonation of the guanidino group of D-octopine.
3-amino-8-methoxy-2-methyl-5H-pyrimido[5,4-b]indol-1-ium-4-one
C12H13N4O2+ (245.10384580000002)
Methanol, (2,3-dihydro-6-methoxy-4-methyl-2-furo[3,2-c]quinolinyl)-
4-(2-amino-5-oxoimidazol-4-yl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one
gamma-Glu-Val(1-)
A peptide anion that is the conjugate base of gamma-Glu-Val, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3.
1-(2,4-Diamino-4-oxobutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
C9H15N3O5 (245.10116599999998)
N-acetyl-L-tryptophanate
A monocarboxylic acid anion that is the conjugate base of N-acetyl-L-tryptophan, obtained by the deprotonation of the carboxy group; major species at pH 7.3.
N-acetyltryptophanate
A monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of N-acetyltryptophan.
2-(2-hydroxypropan-2-yl)-2h,3h-furo[2,3-b]quinolin-6-ol
(3r)-3-hydroxy-2,2,9-trimethyl-3h-furo[2,3-b]quinolin-4-one
2-imino-5-{8-oxo-1h,5h,6h,7h-pyrrolo[2,3-c]azepin-4-ylidene}imidazolidin-4-one
5-[(4e)-8-hydroxy-1h,5h,6h-pyrrolo[2,3-c]azepin-4-ylidene]-2-imino-1h-imidazol-4-ol
6-imino-1,7-dimethyl-3-(3-methylbuta-1,3-dien-1-yl)purin-2-one
(1s,6s)-3-(3-phenylpropanoyl)-7-oxa-3-azabicyclo[4.1.0]heptan-2-one
2-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)prop-2-enenitrile
5-hydroxy-2-(methoxymethyl)-4-methyl-1h,6h,7h-cyclopenta[g]indol-8-one
4-hydroxy-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-6h-1,3,5-triazin-2-one
C9H15N3O5 (245.10116599999998)
(2z)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enenitrile
5-(hydroxymethyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carbaldehyde
5-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrol-2-one
6-imino-1,7-dimethyl-3-[(1e)-3-methylbuta-1,3-dien-1-yl]purin-2-one
3-hydroxy-2,2,9-trimethyl-3h-furo[2,3-b]quinolin-4-one
(5z)-5-(2h-1,3-benzodioxol-5-ylmethylidene)-2-imino-3-methylimidazolidin-4-one
{[(5r)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohex-1-en-1-yl]amino}acetic acid
2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)prop-2-enenitrile
1-[(2e)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one
3-(3-phenylpropanoyl)-7-oxa-3-azabicyclo[4.1.0]heptan-2-one
6,7-dihydroxy-5h,10h-pyrrolo[1,2-b]isoquinoline-3-carboxylic acid
1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one
(2r)-2-[(8e)-10-hydroxydec-8-en-2,4,6-triynamido]propanoic acid
4-hydroxy-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-6h-1,3,5-triazin-2-one
C9H15N3O5 (245.10116599999998)