CID 483212

Oxazolidinone deriv

Structural Information

Molecular Formula
C18H16FN5O3
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3C=C(N=C3)C=CC#N)F
InChI
InChI=1S/C18H16FN5O3/c1-12(25)21-8-15-10-24(18(26)27-15)14-4-5-17(16(19)7-14)23-9-13(22-11-23)3-2-6-20/h2-5,7,9,11,15H,8,10H2,1H3,(H,21,25)/t15-/m0/s1
InChIKey
YPJUKPVQPMWIGB-HNNXBMFYSA-N
Compound name
N-[[(5S)-3-[4-[4-(2-cyanoethenyl)imidazol-1-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

369.12372 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13100 181.9
[M+Na]+ 392.11294 190.9
[M-H]- 368.11644 184.9
[M+NH4]+ 387.15754 190.0
[M+K]+ 408.08688 185.5
[M+H-H2O]+ 352.12098 164.0
[M+HCOO]- 414.12192 196.2
[M+CH3COO]- 428.13757 225.4
[M+Na-2H]- 390.09839 178.6
[M]+ 369.12317 176.3
[M]- 369.12427 176.3
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.