CID 6475170

N-[3-(imidazolylmethyl)phenyl]-3-phenylprop-2-enamide

Structural Information

Molecular Formula
C19H17N3O
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC(=C2)CN3C=CN=C3
InChI
InChI=1S/C19H17N3O/c23-19(10-9-16-5-2-1-3-6-16)21-18-8-4-7-17(13-18)14-22-12-11-20-15-22/h1-13,15H,14H2,(H,21,23)/b10-9+
InChIKey
HPIPQNPECYBRHI-MDZDMXLPSA-N
Compound name
(E)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.13718 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.144456 171.8
[M+Na]+ 326.126398 177.8
[M-H]- 302.129904 178.6
[M+NH4]+ 321.171003 184.7
[M+K]+ 342.100338 171.6
[M+H-H2O]+ 286.134440 161.2
[M+HCOO]- 348.135381 194.6
[M+CH3COO]- 362.151031 182.2
[M+Na-2H]- 324.111846 175.6
[M]+ 303.13663142 170.7
[M]- 303.13772858 170.7
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.