CID 6482332

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

Structural Information

Molecular Formula
C22H19ClFN5O4
SMILES
C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)N3C=NC=N3)F)CNC(=O)CCC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H19ClFN5O4/c23-15-3-1-14(2-4-15)20(30)7-8-21(31)26-10-17-11-28(22(32)33-17)16-5-6-19(18(24)9-16)29-13-25-12-27-29/h1-6,9,12-13,17H,7-8,10-11H2,(H,26,31)/t17-/m0/s1
InChIKey
NAXLDAJDIYEBOK-KRWDZBQOSA-N
Compound name
4-(4-chlorophenyl)-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

471.11096 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.11824 207.9
[M+Na]+ 494.10018 214.8
[M-H]- 470.10368 215.6
[M+NH4]+ 489.14478 212.4
[M+K]+ 510.07412 209.4
[M+H-H2O]+ 454.10822 195.4
[M+HCOO]- 516.10916 219.0
[M+CH3COO]- 530.12481 215.3
[M+Na-2H]- 492.08563 203.1
[M]+ 471.11041 210.7
[M]- 471.11151 210.7
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.