CID 476937

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

Structural Information

Molecular Formula
C17H19FN4O4
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CC=NN3CCO)F
InChI
InChI=1S/C17H19FN4O4/c1-11(24)19-9-13-10-21(17(25)26-13)12-2-3-14(15(18)8-12)16-4-5-20-22(16)6-7-23/h2-5,8,13,23H,6-7,9-10H2,1H3,(H,19,24)/t13-/m0/s1
InChIKey
PPRIZCRKBXKMCU-ZDUSSCGKSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-[2-(2-hydroxyethyl)pyrazol-3-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

362.13904 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14632 182.7
[M+Na]+ 385.12826 190.0
[M-H]- 361.13176 187.7
[M+NH4]+ 380.17286 192.5
[M+K]+ 401.10220 186.6
[M+H-H2O]+ 345.13630 172.8
[M+HCOO]- 407.13724 199.9
[M+CH3COO]- 421.15289 214.2
[M+Na-2H]- 383.11371 179.9
[M]+ 362.13849 183.3
[M]- 362.13959 183.3
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.