CID 476933

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

Structural Information

Molecular Formula
C17H16FN5O3
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=NN(C=C3)CC#N)F
InChI
InChI=1S/C17H16FN5O3/c1-11(24)20-9-13-10-23(17(25)26-13)12-2-3-14(15(18)8-12)16-4-6-22(21-16)7-5-19/h2-4,6,8,13H,7,9-10H2,1H3,(H,20,24)/t13-/m0/s1
InChIKey
DEDYYYGAVOPJMC-ZDUSSCGKSA-N
Compound name
N-[[(5S)-3-[4-[1-(cyanomethyl)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

357.12372 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13100 177.1
[M+Na]+ 380.11294 186.2
[M-H]- 356.11644 180.2
[M+NH4]+ 375.15754 185.7
[M+K]+ 396.08688 181.6
[M+H-H2O]+ 340.12098 159.3
[M+HCOO]- 402.12192 191.6
[M+CH3COO]- 416.13757 224.0
[M+Na-2H]- 378.09839 174.5
[M]+ 357.12317 172.0
[M]- 357.12427 172.0
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.