CID 478457

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

Structural Information

Molecular Formula
C19H23FN2O4S
SMILES
C1CC1C(=O)NC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)C4CCS(=O)CC4)F
InChI
InChI=1S/C19H23FN2O4S/c20-17-9-14(3-4-16(17)12-5-7-27(25)8-6-12)22-11-15(26-19(22)24)10-21-18(23)13-1-2-13/h3-4,9,12-13,15H,1-2,5-8,10-11H2,(H,21,23)/t12?,15-,27?/m0/s1
InChIKey
YJEAGGJRHWQLBL-BEAMWPTBSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

394.13626 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.14354 183.9
[M+Na]+ 417.12548 190.3
[M-H]- 393.12898 194.2
[M+NH4]+ 412.17008 189.7
[M+K]+ 433.09942 185.7
[M+H-H2O]+ 377.13352 175.5
[M+HCOO]- 439.13446 195.4
[M+CH3COO]- 453.15011 221.2
[M+Na-2H]- 415.11093 179.6
[M]+ 394.13571 184.1
[M]- 394.13681 184.1
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.