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]+ 354.145976 178.7
[M+Na]+ 376.127918 182.9
[M-H]- 352.131424 183.8
[M+NH4]+ 371.172523 188.1
[M+K]+ 392.101858 176.7
[M+H-H2O]+ 336.135960 173.8
[M+HCOO]- 398.136901 191.8
[M+CH3COO]- 412.152551 202.0
[M+Na-2H]- 374.113366 181.6
[M]+ 353.13815142 172.5
[M]- 353.13924858 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

patents stripe