CID 478455

N-[[(5s)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide

Structural Information

Molecular Formula
C17H21FN2O4S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3CCS(=O)CC3)F
InChI
InChI=1S/C17H21FN2O4S/c1-11(21)19-9-14-10-20(17(22)24-14)13-2-3-15(16(18)8-13)12-4-6-25(23)7-5-12/h2-3,8,12,14H,4-7,9-10H2,1H3,(H,19,21)/t12?,14-,25?/m0/s1
InChIKey
KKRDLKUGYRDLEX-VSNJRPSNSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

368.1206 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12788 184.4
[M+Na]+ 391.10982 190.1
[M-H]- 367.11332 191.8
[M+NH4]+ 386.15442 196.0
[M+K]+ 407.08376 186.6
[M+H-H2O]+ 351.11786 175.8
[M+HCOO]- 413.11880 196.0
[M+CH3COO]- 427.13445 215.1
[M+Na-2H]- 389.09527 179.9
[M]+ 368.12005 182.5
[M]- 368.12115 182.5
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