CID 6482319

4-(4-chlorophenyl)-n-[[(5s)-3-[3-fluoro-4-(4-oxidomorpholin-4-ium-4-yl)phenyl]-2-oxo-oxazolidin-5-yl]methyl]-4-oxo-butanamide

Structural Information

Molecular Formula
C24H25ClFN3O6
SMILES
C1COCC[N+]1(C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)CCC(=O)C4=CC=C(C=C4)Cl)F)[O-]
InChI
InChI=1S/C24H25ClFN3O6/c25-17-3-1-16(2-4-17)22(30)7-8-23(31)27-14-19-15-28(24(32)35-19)18-5-6-21(20(26)13-18)29(33)9-11-34-12-10-29/h1-6,13,19H,7-12,14-15H2,(H,27,31)/t19-/m0/s1
InChIKey
LRBPDSCOWWBLPM-IBGZPJMESA-N
Compound name
4-(4-chlorophenyl)-N-[[(5S)-3-[3-fluoro-4-(4-oxidomorpholin-4-ium-4-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

505.1416 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.14888 217.8
[M+Na]+ 528.13082 220.1
[M-H]- 504.13432 225.1
[M+NH4]+ 523.17542 220.8
[M+K]+ 544.10476 211.7
[M+H-H2O]+ 488.13886 210.9
[M+HCOO]- 550.13980 223.8
[M+CH3COO]- 564.15545 229.0
[M+Na-2H]- 526.11627 216.4
[M]+ 505.14105 214.4
[M]- 505.14215 214.4
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.