CID 465952

168828-60-2

Structural Information

Molecular Formula
C16H20FN3O4S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCS(=O)CC3)F
InChI
InChI=1S/C16H20FN3O4S/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-25(23)7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
InChIKey
WNRIDZUNMXATND-ZDUSSCGKSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

33
Patents

369.11584 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12312 184.2
[M+Na]+ 392.10506 190.3
[M-H]- 368.10856 190.4
[M+NH4]+ 387.14966 194.3
[M+K]+ 408.07900 186.9
[M+H-H2O]+ 352.11310 174.9
[M+HCOO]- 414.11404 194.8
[M+CH3COO]- 428.12969 214.9
[M+Na-2H]- 390.09051 179.9
[M]+ 369.11529 182.4
[M]- 369.11639 182.4
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.