CID 476947

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

Structural Information

Molecular Formula
C17H18F2N4O3
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CN(N=C3)CCF)F
InChI
InChI=1S/C17H18F2N4O3/c1-11(24)20-8-14-10-23(17(25)26-14)13-2-3-15(16(19)6-13)12-7-21-22(9-12)5-4-18/h2-3,6-7,9,14H,4-5,8,10H2,1H3,(H,20,24)/t14-/m0/s1
InChIKey
PDNXJSXSDUFLJH-AWEZNQCLSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-[1-(2-fluoroethyl)pyrazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1347 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.14198 182.8
[M+Na]+ 387.12392 190.8
[M-H]- 363.12742 187.6
[M+NH4]+ 382.16852 193.1
[M+K]+ 403.09786 187.0
[M+H-H2O]+ 347.13196 171.6
[M+HCOO]- 409.13290 200.1
[M+CH3COO]- 423.14855 216.8
[M+Na-2H]- 385.10937 179.5
[M]+ 364.13415 182.7
[M]- 364.13525 182.7
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.