CID 6482317

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

Structural Information

Molecular Formula
C28H28FN3O6
SMILES
C1COCC[N+]1(C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)CCC(=O)C4=CC5=CC=CC=C5C=C4)F)[O-]
InChI
InChI=1S/C28H28FN3O6/c29-24-16-22(7-8-25(24)32(36)11-13-37-14-12-32)31-18-23(38-28(31)35)17-30-27(34)10-9-26(33)21-6-5-19-3-1-2-4-20(19)15-21/h1-8,15-16,23H,9-14,17-18H2,(H,30,34)/t23-/m0/s1
InChIKey
PODKKDJUGUZTIA-QHCPKHFHSA-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-naphthalen-2-yl-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.1962 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.20348 223.1
[M+Na]+ 544.18542 224.1
[M-H]- 520.18892 231.0
[M+NH4]+ 539.23002 225.0
[M+K]+ 560.15936 215.8
[M+H-H2O]+ 504.19346 214.4
[M+HCOO]- 566.19440 231.6
[M+CH3COO]- 580.21005 235.4
[M+Na-2H]- 542.17087 222.7
[M]+ 521.19565 217.0
[M]- 521.19675 217.0
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.