Exact Mass: 445.1031

Exact Mass Matches: 445.1031

Found 20 metabolites which its exact mass value is equals to given mass value 445.1031, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

5-Oxooctyl glucosinolate

5-Oxooctyl glucosinolate

C15H27NO10S2 (445.1076)


   

1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium chloride

1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium chloride

C21H21Cl2N5O2 (445.1072)


   

Thiazolidine, 3-(1-naphthalenylsulfonyl)-2-(2,4,5-trimethoxyphenyl)- (9CI)

Thiazolidine, 3-(1-naphthalenylsulfonyl)-2-(2,4,5-trimethoxyphenyl)- (9CI)

C22H23NO5S2 (445.1018)


   

3-[[[(2S,4S)-4-Mercapto-1-(4-nitrobenzyloxy)carbonyl-2-pyrrolidinyl]carbonyl]amino]benzoic acid

3-[[[(2S,4S)-4-Mercapto-1-(4-nitrobenzyloxy)carbonyl-2-pyrrolidinyl]carbonyl]amino]benzoic acid

C20H19N3O7S (445.0944)


   

spiclomazine

spiclomazine

C22H24ClN3OS2 (445.1049)


C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Spiclomazine (Clospirazine) is a potent mutant KRAS(G12C) inhibitor that selectively inhibits mutant KRAS-driven pancreatic cancer. Spiclomazine can eliminate KRas-GTP levels in KRAS-driven pancreatic cancer and effectively inhibit RAS-mediated signaling. Spiclomazine significantly inhibits tumor progression in mouse renal capsule xenotransplantation models[1].

   

(S)-tert-butyl 1-(5-bromopyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-ylcarbamate

(S)-tert-butyl 1-(5-bromopyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-ylcarbamate

C21H24BrN3O3 (445.1001)


   

basmisanil

basmisanil

C21H20FN3O5S (445.1108)


C78272 - Agent Affecting Nervous System Basmisanil (RG1662) is a highly selective orally active α subunit-containing GABAA receptors (GABAAα5) negative allosteric modulator (NAMs). Basmisanil can inhibit GABAA-α5 with a Ki value of 5 nM and IC50 value of 8 nM, respectively. Basmisanil can be used for the research of multiple cognitive and psychiatric disorders[1].

   

[9-(Benzenesulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanone

[9-(Benzenesulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanone

C25H19NO5S (445.0984)


   

(6R,7S)-7-[[(5R)-5-azaniumyl-5-carboxylatopentanoyl]amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

(6R,7S)-7-[[(5R)-5-azaniumyl-5-carboxylatopentanoyl]amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

C16H21N4O9S- (445.1029)


   

Methyl 3-[(diphenylacetyl)amino]-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylate

Methyl 3-[(diphenylacetyl)amino]-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylate

C24H19N3O4S (445.1096)


   

N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide

N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide

C24H19N3O4S (445.1096)


   

2-(2,6-Difluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)thiazolidin-4-one

2-(2,6-Difluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)thiazolidin-4-one

C25H17F2N3OS (445.106)


   

N-[4-(4-methylphenyl)-2-thiazolyl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide

N-[4-(4-methylphenyl)-2-thiazolyl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide

C23H19N5OS2 (445.1031)


   

(3aS,4S,9bR)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

(3aS,4S,9bR)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

C21H24BrN3O3 (445.1001)


   

(3aS,4R,9bR)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

(3aS,4R,9bR)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

C21H24BrN3O3 (445.1001)


   

(3aR,4S,9bS)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

(3aR,4S,9bS)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

C21H24BrN3O3 (445.1001)


   

(3aR,4R,9bS)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

(3aR,4R,9bS)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

C21H24BrN3O3 (445.1001)


   

[(z)-(6-oxo-1-{[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}nonylidene)amino]oxysulfonic acid

[(z)-(6-oxo-1-{[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}nonylidene)amino]oxysulfonic acid

C15H27NO10S2 (445.1076)


   

(4r,5s,6r)-6-[(s)-[(3s,4r,5r)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl](c-hydroxycarbonimidoyl)methoxy]-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid

(4r,5s,6r)-6-[(s)-[(3s,4r,5r)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl](c-hydroxycarbonimidoyl)methoxy]-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid

C16H19N3O12 (445.0969)


   

(4s,5s,6s)-6-[(r)-[(2s,3s,4r,5r)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl](c-hydroxycarbonimidoyl)methoxy]-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid

(4s,5s,6s)-6-[(r)-[(2s,3s,4r,5r)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl](c-hydroxycarbonimidoyl)methoxy]-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid

C16H19N3O12 (445.0969)