CID 486305

Linezolid n-oxide

Structural Information

Molecular Formula
C16H20FN3O5
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)[N+]3(CCOCC3)[O-])F
InChI
InChI=1S/C16H20FN3O5/c1-11(21)18-9-13-10-19(16(22)25-13)12-2-3-15(14(17)8-12)20(23)4-6-24-7-5-20/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
InChIKey
CMFKNYFIQWSUNN-ZDUSSCGKSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(4-oxidomorpholin-4-ium-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

353.1387 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14598 178.7
[M+Na]+ 376.12792 182.9
[M-H]- 352.13142 183.8
[M+NH4]+ 371.17252 188.1
[M+K]+ 392.10186 176.7
[M+H-H2O]+ 336.13596 173.8
[M+HCOO]- 398.13690 191.8
[M+CH3COO]- 412.15255 202.0
[M+Na-2H]- 374.11337 181.6
[M]+ 353.13815 172.5
[M]- 353.13925 172.5
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.