CID 6482333

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

Structural Information

Molecular Formula
C24H23FN6O5
SMILES
CC(=O)NC1=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/C24H23FN6O5/c1-15(32)29-17-4-2-16(3-5-17)22(33)8-9-23(34)27-11-19-12-30(24(35)36-19)18-6-7-21(20(25)10-18)31-14-26-13-28-31/h2-7,10,13-14,19H,8-9,11-12H2,1H3,(H,27,34)(H,29,32)/t19-/m0/s1
InChIKey
OASIUANRLDEIIA-IBGZPJMESA-N
Compound name
4-(4-acetamidophenyl)-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

494.1714 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.17868 213.3
[M+Na]+ 517.16062 217.4
[M-H]- 493.16412 221.4
[M+NH4]+ 512.20522 215.4
[M+K]+ 533.13456 213.9
[M+H-H2O]+ 477.16866 200.8
[M+HCOO]- 539.16960 229.0
[M+CH3COO]- 553.18525 243.1
[M+Na-2H]- 515.14607 208.7
[M]+ 494.17085 214.0
[M]- 494.17195 214.0
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.