CID 476932

N-((s)-3-{4-[1-(2-cyano-ethyl)-1h-pyrazol-3-yl]-3-fluoro-phenyl}-2-oxo-oxazolidin-5-ylmethyl)-acetamide

Structural Information

Molecular Formula
C18H18FN5O3
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=NN(C=C3)CCC#N)F
InChI
InChI=1S/C18H18FN5O3/c1-12(25)21-10-14-11-24(18(26)27-14)13-3-4-15(16(19)9-13)17-5-8-23(22-17)7-2-6-20/h3-5,8-9,14H,2,7,10-11H2,1H3,(H,21,25)/t14-/m0/s1
InChIKey
HSXMZBMRJYDZGX-AWEZNQCLSA-N
Compound name
N-[[(5S)-3-[4-[1-(2-cyanoethyl)pyrazol-3-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

371.13937 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14665 180.8
[M+Na]+ 394.12859 189.5
[M-H]- 370.13209 183.8
[M+NH4]+ 389.17319 188.9
[M+K]+ 410.10253 184.7
[M+H-H2O]+ 354.13663 162.9
[M+HCOO]- 416.13757 195.0
[M+CH3COO]- 430.15322 226.6
[M+Na-2H]- 392.11404 177.8
[M]+ 371.13882 176.0
[M]- 371.13992 176.0
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.