Exact Mass: 445.0766

Exact Mass Matches: 445.0766

Found 65 metabolites which its exact mass value is equals to given mass value 445.0766, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Sodium cefapirin

Cephapirin sodium

C17H16N3NaO6S2 (445.0378)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   
   

Dibutyryl cyclic 3',5'-cytidine monophosphate

6-[4-(Butanoylimino)-2-hydroxy-1,4-dihydropyrimidin-1-yl]-2-hydroxy-2-oxo-hexahydro-2-furo[3,2-D][1,3,2]dioxaphosphinin-7-yl butanoic acid

C17H24N3O9P (445.125)


   

1-[[3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran]-2-yl]-2,6-dichloro-5-hydroxy-8-methyl[1]benzopyrano[2,3-b]pyrrol-4(1H)-one

1-[[3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran]-2-yl]-2,6-dichloro-5-hydroxy-8-methyl[1]benzopyrano[2,3-b]pyrrol-4(1H)-one

C18H17Cl2NO8 (445.0331)


   

5-Oxooctyl glucosinolate

5-Oxooctyl glucosinolate

C15H27NO10S2 (445.1076)


   

Tritosulfuron

Tritosulfuron

C13H9F6N5O4S (445.0279)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 2740

   
   
   
   
   

7-Methoxycephalosporin C

7-Methoxycephalosporin C

C17H23N3O9S (445.1155)


   
   

H-89 dihydrochloride

N-[2-[[3-(4-bromophenyl)-2-propen-1-yl]amino]ethyl]5-isoquinolinesulfonamide

C20H20BrN3O2S (445.046)


D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors

   

tiemonium iodide

tiemonium iodide

C18H24INO2S (445.0572)


A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent

   

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)


   

manganese gluconate

Manganese(2+) di(D-gluconate)

C12H22MnO14 (445.039)


Dietary supplement

   

Thiazolidine, 2-(2,3-dihydro-1H-phenalen-6-yl)-3-(1-naphthalenylsulfonyl)- (9CI)

Thiazolidine, 2-(2,3-dihydro-1H-phenalen-6-yl)-3-(1-naphthalenylsulfonyl)- (9CI)

C26H23NO2S2 (445.117)


   

4-[(9-beta-d-ribofuranosyl-9h-purin-6-yl)amino]-benzenesulfonic acid sodium

4-[(9-beta-d-ribofuranosyl-9h-purin-6-yl)amino]-benzenesulfonic acid sodium

C16H16N5NaO7S (445.0668)


   

Adenosine-5-diphosphate trilithium salt

Adenosine-5-diphosphate trilithium salt

C10H12Li3N5O10P2 (445.054)


   

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].

   

ethyl 5-(benzyloxy)-6-broMo-2-(3-hydroxypropyl)-1-Methyl-1H-indole-3-carboxylate

ethyl 5-(benzyloxy)-6-broMo-2-(3-hydroxypropyl)-1-Methyl-1H-indole-3-carboxylate

C22H24BrNO4 (445.0889)


   
   

N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide

N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide

C19H18F3NO6S (445.0807)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061965 - Matrix Metalloproteinase Inhibitors

   

Cerlapirdine hydrochloride

Cerlapirdine hydrochloride

C22H24ClN3O3S (445.1227)


C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist

   

N4 2-O-Dibutyrylcytidine 3

N4 2-O-Dibutyrylcytidine 3

C17H24N3O9P (445.125)


   

3-amino-6-benzyl-N-(2-fluorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-benzyl-N-(2-fluorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C22H15F4N3OS (445.0872)


   

[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)


   

4-Hydroxy-3-[2-oxo-3-(thieno[3,2-B]pyridine-2-sulfonylamino)-pyrrolidin-1-ylmethyl]-benzamidine

4-Hydroxy-3-[2-oxo-3-(thieno[3,2-B]pyridine-2-sulfonylamino)-pyrrolidin-1-ylmethyl]-benzamidine

C19H19N5O4S2 (445.0878)


   

N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide

N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide

C20H20BrN3O2S (445.046)


   

CDP-ethanolamine(1-)

CDP-ethanolamine(1-)

C11H19N4O11P2- (445.0526)


Conjugate base of CDP-ethanolamine arising from deprotonation of the phosphate OH groups and protonation of the amino group; major species at pH 7.3. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Baicalin(1-)

Baicalin(1-)

C21H17O11- (445.0771)


The carbohydrate acid derivative anion that is the conjugate base of baicalin.

   

(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)


   

N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide

C25H20FN3O2S (445.126)


   

2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide

2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide

C20H19N3O5S2 (445.0766)


   

N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-fluoro-4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-fluoro-4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide

C25H20FN3O2S (445.126)


   

N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-fluoro-4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-fluoro-4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide

C25H20FN3O2S (445.126)


   

2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide

2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide

C20H20FN5O4S (445.122)


   

biochanin A 7-O-beta-D-glucoside(1-)

biochanin A 7-O-beta-D-glucoside(1-)

C22H21O10- (445.1135)


A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of biochanin A 7-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

   

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)


   

(2S,4S)-4-(4-bromophenyl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide

(2S,4S)-4-(4-bromophenyl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide

C22H24BrNO4 (445.0889)


   

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)


   

3-Dehydroisoorientin

3-Dehydroisoorientin

C21H17O11- (445.0771)


   

beta-citryl-L-glutamyl-L-glutamate

beta-citryl-L-glutamyl-L-glutamate

C16H17N2O13-5 (445.0731)


   

4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide

4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide

C22H24ClN3O3S (445.1227)


   

Cefapirin sodium

Cephapirin sodium

C17H16N3NaO6S2 (445.0378)


The sodium salt of cephapirin. A first-generation cephalosporin antibiotic, it is effective against gram-negative and gram-positive organisms. Being more resistant to beta-lactamases than penicillins, it is effective agains most staphylococci, though not methicillin-resistant staphylococci. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   

(6r,7s)-3-[(acetyloxy)methyl]-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6r,7s)-3-[(acetyloxy)methyl]-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C17H23N3O9S (445.1155)


   

2,6-dichloro-5-hydroxy-8-methyl-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromeno[2,3-b]pyrrol-4-one

2,6-dichloro-5-hydroxy-8-methyl-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromeno[2,3-b]pyrrol-4-one

C18H17Cl2NO8 (445.0331)


   

(6r,7s)-3-[(acetyloxy)methyl]-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6r,7s)-3-[(acetyloxy)methyl]-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C17H23N3O9S (445.1155)


   

[(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)


   

[2-hydroxy-13-methyl-4-(3-methylbutyl)-11,14,17-trioxo-5-oxa-15-thia-13-azatetracyclo[8.7.0.0³,⁸.0¹²,¹⁶]heptadeca-1(10),2,8,12(16)-tetraen-6-yl]acetic acid

[2-hydroxy-13-methyl-4-(3-methylbutyl)-11,14,17-trioxo-5-oxa-15-thia-13-azatetracyclo[8.7.0.0³,⁸.0¹²,¹⁶]heptadeca-1(10),2,8,12(16)-tetraen-6-yl]acetic acid

C22H23NO7S (445.1195)


   

(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)


   

[(4r,6s)-2-hydroxy-13-methyl-4-(3-methylbutyl)-11,14,17-trioxo-5-oxa-15-thia-13-azatetracyclo[8.7.0.0³,⁸.0¹²,¹⁶]heptadeca-1(10),2,8,12(16)-tetraen-6-yl]acetic acid

[(4r,6s)-2-hydroxy-13-methyl-4-(3-methylbutyl)-11,14,17-trioxo-5-oxa-15-thia-13-azatetracyclo[8.7.0.0³,⁸.0¹²,¹⁶]heptadeca-1(10),2,8,12(16)-tetraen-6-yl]acetic acid

C22H23NO7S (445.1195)


   

(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)


   

3-[(acetyloxy)methyl]-7-[(5-amino-5-carboxy-1-hydroxypentylidene)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

3-[(acetyloxy)methyl]-7-[(5-amino-5-carboxy-1-hydroxypentylidene)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C17H23N3O9S (445.1155)


   

2,6-dichloro-5-hydroxy-8-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromeno[2,3-b]pyrrol-4-one

2,6-dichloro-5-hydroxy-8-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromeno[2,3-b]pyrrol-4-one

C18H17Cl2NO8 (445.0331)