CID 3006436

4-[(5s)-5-[(ethanethioylamino)methyl]-2-oxo-oxazolidin-3-yl]-2-fluoro-n-(1h-imidazol-2-yl)benzamide

Structural Information

Molecular Formula
C16H16FN5O3S
SMILES
CC(=S)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C(=O)NC3=NC=CN3)F
InChI
InChI=1S/C16H16FN5O3S/c1-9(26)20-7-11-8-22(16(24)25-11)10-2-3-12(13(17)6-10)14(23)21-15-18-4-5-19-15/h2-6,11H,7-8H2,1H3,(H,20,26)(H2,18,19,21,23)/t11-/m0/s1
InChIKey
CRTRBYDDNHTQNH-NSHDSACASA-N
Compound name
4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1H-imidazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

377.0958 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.10308 185.8
[M+Na]+ 400.08502 192.6
[M-H]- 376.08852 191.0
[M+NH4]+ 395.12962 195.3
[M+K]+ 416.05896 188.2
[M+H-H2O]+ 360.09306 176.8
[M+HCOO]- 422.09400 198.8
[M+CH3COO]- 436.10965 216.1
[M+Na-2H]- 398.07047 181.7
[M]+ 377.09525 184.9
[M]- 377.09635 184.9
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