Exact Mass: 449.0487

Exact Mass Matches: 449.0487

Found 57 metabolites which its exact mass value is equals to given mass value 449.0487, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

6-(Methylthio)hexyl glucosinolate

{[(e)-[7-(methylsulphanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}heptylidene]amino]oxy}sulphonic acid

C14H27NO9S3 (449.0848)

6-(Methylthio)hexyl glucosinolate is found in horseradish. 6-(Methylthio)hexyl glucosinolate is present in Arabidopsis thaliana and other crucifers. Present in Arabidopsis thaliana and other crucifers. 6-(Methylthio)hexyl glucosinolate is found in horseradish.

Cefoxitin sodium

C16H16N3NaO7S2 (449.0327)

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 > D002513 - Cephamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

Oprea1_550902

C19H19N3O2S4 (449.036)

CHEBI:167762

C19H13Cl2N3O6 (449.0181)

Glucolesquerellin

{[(E)-[7-(methylsulfanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene]amino]oxy}sulfonic acid

C14H27NO9S3 (449.0848)

http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 3

K-Ras(G12C) inhibitor 12 is a K-Ras(G12C) inhibitor. K-Ras(G12C) inhibitor 12 acts on H1792 cells with an EC50 of 0.32 μM.

2-[N-(2-Cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]anilino]ethyl acetate

C19H17Cl2N5O4 (449.0658)

sodium 4-(2H-naphtho[1,2-d]triazol-2-yl)stilbene-2-sulphonate

C24H16N3NaO3S (449.081)

4-[(2,4-dichlorophenyl)azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide

C24H17Cl2N3O2 (449.0698)

Icr-191 dihydrochloride

1,3-Propanediamine,N1-(2-chloroethyl)-N3-(6-chloro-2-methoxy-9-acridinyl)-, hydrochloride (1:2)

C19H23Cl4N3O (449.0595)

2-[2-CHLORO-6-(2-PYRIDYLTHIO)-4-PYRIDYL]-4-[3-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOLE

C20H11ClF3N3S2 (449.0035)

Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-

C21H18Cl3N3O2 (449.0465)

Bederocin

C20H21BrFN3OS (449.0573)

C254 - Anti-Infective Agent > C52588 - Antibacterial Agent

(4Z)-4-[(2,5-dichlorophenyl)hydrazinylidene]-N-(4-methylphenyl)-3-oxonaphthalene-2-carboxamide

C24H17Cl2N3O2 (449.0698)

1-Ethyl ester Methyl-3-Methylimidazolium bis(trifluoromethylsulfonyl)imide

C10H13F6N3O6S2 (449.015)

1h,1h-perfluorononylamine

C9H4F17N (449.0072)

APS SODIUM SALT

C10H13N5NaO10PS (449.0018)

Samarium(III) 2,4-pentanedionate hydrate

C15H21O6Sm (449.0535)

MgADP

C10H13MgN5O10P2 (448.9988)

4-[(7-oxo-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-ylidene)methylamino]-N-(2-pyridinyl)benzenesulfonamide

C21H15N5O3S2 (449.0616)

N-[2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]benzamide

C23H16ClN3O3S (449.0601)

1-(4-Iodobenzoyl)-5-methoxy-2-methyl indole-3-acetic acid

C19H16INO4 (449.0124)

4-[(7-Oxo-7h-thiazolo[5,4-e]indol-8-ylmethyl)-amino]-n-pyridin-2-yl-benzenesulfonamide

C21H15N5O3S2 (449.0616)

2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}ethanesulfonamide

C17H24ClN3O5S2 (449.0846)

5-O-(N-(L-Cysteinyl)-sulfamoyl)adenosine

C13H19N7O7S2 (449.0787)

(6-[4-(Aminomethyl)-2,6-dimethylphenoxy]-2-{[4-(aminomethyl)phenyl]amino}-5-bromopyrimidin-4-YL)methanol

C21H16BrN5O2 (449.0487)

1-(5-Carboxypentyl)-5-[(2,6-dichlorobenzyl)oxy]-1 H-indole-2-carboxylic acid

C22H21Cl2NO5 (449.0797)

[[Amino-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]amino] 5-nitrouran-2-carboxylate

C19H13Cl2N3O6 (449.0181)

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-7-methylsulfanyl-N-sulfooxyheptanimidothioate

C14H27NO9S3 (449.0848)

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-7-methylsulfanyl-N-sulfooxyheptanimidothioate

C14H27NO9S3 (449.0848)

N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

C19H19N3O6S2 (449.0715)

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1-naphthalenesulfonamide

C19H13F6NO3S (449.052)

5-(3-chlorophenyl)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-furancarboxamide

C22H16ClN5O2S (449.0713)

2-[(4-Chlorophenyl)methylthio]-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole

C20H20ClN3O3S2 (449.0635)

5-(3-Bromophenyl)-2-furaldehyde [5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazone

C21H16BrN5O2 (449.0487)

5-[[5-Benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C22H16FN5OS2 (449.078)

methyl 5-[(E)-[(4-chlorophenyl)carbamothioylhydrazinylidene]methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate

C19H14ClF2N5O2S (449.0525)

3-[[4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]sulfonyl]benzonitrile

C19H19N3O6S2 (449.0715)

2-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester

C19H19N3O6S2 (449.0715)

N-[(2S,3R,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

C21H21Cl2N3O4 (449.0909)

N-[(2R,3S,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

C21H21Cl2N3O4 (449.0909)

N-[(2S,3S,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

C21H21Cl2N3O4 (449.0909)

N-[(2R,3S,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

C21H21Cl2N3O4 (449.0909)

N-[(2S,3R,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

C21H21Cl2N3O4 (449.0909)

N-[(2S,3S,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

C21H21Cl2N3O4 (449.0909)

N-[(2R,3R,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

C21H21Cl2N3O4 (449.0909)

Adenosine 5-phosphosulfate (sodium salt)

C10H13N5NaO10PS (449.0018)

4-(4-Bromobenzoyl)-5-pyridin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione

C22H16BrN3O3 (449.0375)

(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-hydroxy-5-(4-methylbenzoyl)-3-nitrophenoxy]oxane-2-carboxylic acid

C20H19NO11 (449.0958)

Kobe0065

C15H11ClF3N5O4S (449.0172)

Kobe0065 is a novel and effective inhibitor of Ras-Raf interaction, competitively inhibiting the binding of H-Ras·GTP to c-Raf-1 RBD with a Ki value of 46±13 μM.

MIPS521

C19H10ClF6NOS (449.0076)

MIPS521 is a positive allosteric modulator of adenosine A1 receptor (A1AR). MIPS521 also has a lower A1R allosteric affinity (pKB=4.95; KB=11?μM). MIPS521 exhibits pain-relieving effects in vivo through modulation of the increased levels of endogenous adenosine[1][2].

{[7-(methylsulfanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene]amino}oxysulfonic acid

C14H27NO9S3 (449.0848)

[(e)-[7-(methylsulfanyl)-1-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene]amino]oxysulfonic acid

C14H27NO9S3 (449.0848)

[(e)-[7-(methylsulfanyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene]amino]oxysulfonic acid

C14H27NO9S3 (449.0848)