CID 6482334

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

Structural Information

Molecular Formula
C22H18F3N5O4
SMILES
C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)N3C=NC=N3)F)CNC(=O)CCC(=O)C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C22H18F3N5O4/c23-13-1-3-16(17(24)7-13)20(31)5-6-21(32)27-9-15-10-29(22(33)34-15)14-2-4-19(18(25)8-14)30-12-26-11-28-30/h1-4,7-8,11-12,15H,5-6,9-10H2,(H,27,32)/t15-/m0/s1
InChIKey
SWJMTLKCIUYEIA-HNNXBMFYSA-N
Compound name
4-(2,4-difluorophenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.1311 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.13838 207.0
[M+Na]+ 496.12032 214.4
[M-H]- 472.12382 212.7
[M+NH4]+ 491.16492 210.7
[M+K]+ 512.09426 209.1
[M+H-H2O]+ 456.12836 193.2
[M+HCOO]- 518.12930 220.7
[M+CH3COO]- 532.14495 236.6
[M+Na-2H]- 494.10577 201.0
[M]+ 473.13055 206.2
[M]- 473.13165 206.2
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.