CID 476945

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

Structural Information

Molecular Formula
C18H19FN4O3
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CN(N=C3)CC=C)F
InChI
InChI=1S/C18H19FN4O3/c1-3-6-22-10-13(8-21-22)16-5-4-14(7-17(16)19)23-11-15(26-18(23)25)9-20-12(2)24/h3-5,7-8,10,15H,1,6,9,11H2,2H3,(H,20,24)/t15-/m0/s1
InChIKey
YVZULOCPUPVQLP-HNNXBMFYSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(1-prop-2-enylpyrazol-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

358.1441 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15138 184.0
[M+Na]+ 381.13332 191.9
[M-H]- 357.13682 190.1
[M+NH4]+ 376.17792 194.6
[M+K]+ 397.10726 187.7
[M+H-H2O]+ 341.14136 173.8
[M+HCOO]- 403.14230 202.3
[M+CH3COO]- 417.15795 216.4
[M+Na-2H]- 379.11877 180.8
[M]+ 358.14355 184.6
[M]- 358.14465 184.6
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.