CID 476950

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

Structural Information

Molecular Formula
C17H14FN3O3S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CC=C(S3)C#N)F
InChI
InChI=1S/C17H14FN3O3S/c1-10(22)20-8-12-9-21(17(23)24-12)11-2-4-14(15(18)6-11)16-5-3-13(7-19)25-16/h2-6,12H,8-9H2,1H3,(H,20,22)/t12-/m0/s1
InChIKey
FTZVNGZUQLAZLR-LBPRGKRZSA-N
Compound name
N-[[(5S)-3-[4-(5-cyanothiophen-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.074 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.08128 185.9
[M+Na]+ 382.06322 196.8
[M-H]- 358.06672 192.9
[M+NH4]+ 377.10782 198.4
[M+K]+ 398.03716 191.7
[M+H-H2O]+ 342.07126 171.3
[M+HCOO]- 404.07220 198.8
[M+CH3COO]- 418.08785 222.2
[M+Na-2H]- 380.04867 181.5
[M]+ 359.07345 182.8
[M]- 359.07455 182.8
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.