CID 6482318

(s)-n-[[3-(3-fluoro-4-morpholinylphenyl)-2-oxo-5-oxazolidinyl]methyl]-4-oxo-4-(2-thienyl)butanamide-n-oxide

Structural Information

Molecular Formula
C22H24FN3O6S
SMILES
C1COCC[N+]1(C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)CCC(=O)C4=CC=CS4)F)[O-]
InChI
InChI=1S/C22H24FN3O6S/c23-17-12-15(3-4-18(17)26(30)7-9-31-10-8-26)25-14-16(32-22(25)29)13-24-21(28)6-5-19(27)20-2-1-11-33-20/h1-4,11-12,16H,5-10,13-14H2,(H,24,28)/t16-/m0/s1
InChIKey
TZVQHUUHLAQAQP-INIZCTEOSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(4-oxidomorpholin-4-ium-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-thiophen-2-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.137 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.14428 207.1
[M+Na]+ 500.12622 209.2
[M-H]- 476.12972 215.3
[M+NH4]+ 495.17082 213.1
[M+K]+ 516.10016 202.2
[M+H-H2O]+ 460.13426 203.0
[M+HCOO]- 522.13520 215.3
[M+CH3COO]- 536.15085 221.6
[M+Na-2H]- 498.11167 204.8
[M]+ 477.13645 203.3
[M]- 477.13755 203.3
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.