CID 6482327

(s)-n-[[3-(3-fluoro-4-(1,2,4-triazolyl)phenyl)-2-oxo-5-oxazolidinyl]methyl]-4-oxo-4-(4-thiomethylphenyl)butanamide

Structural Information

Molecular Formula
C23H22FN5O4S
SMILES
CSC1=CC=C(C=C1)C(=O)CCC(=O)NC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)N4C=NC=N4)F
InChI
InChI=1S/C23H22FN5O4S/c1-34-18-5-2-15(3-6-18)21(30)8-9-22(31)26-11-17-12-28(23(32)33-17)16-4-7-20(19(24)10-16)29-14-25-13-27-29/h2-7,10,13-14,17H,8-9,11-12H2,1H3,(H,26,31)/t17-/m0/s1
InChIKey
CQQCIRLMJBVEKX-KRWDZBQOSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(4-methylsulfanylphenyl)-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.13766 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.14494 212.3
[M+Na]+ 506.12688 219.1
[M-H]- 482.13038 220.5
[M+NH4]+ 501.17148 216.6
[M+K]+ 522.10082 214.2
[M+H-H2O]+ 466.13492 201.6
[M+HCOO]- 528.13586 223.7
[M+CH3COO]- 542.15151 236.2
[M+Na-2H]- 504.11233 205.9
[M]+ 483.13711 215.9
[M]- 483.13821 215.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.