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

literature stripe

Patent stripe

patents stripe