CID 6475169

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

Structural Information

Molecular Formula
C19H17N3O
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2CN3C=CN=C3
InChI
InChI=1S/C19H17N3O/c23-19(11-10-16-6-2-1-3-7-16)21-18-9-5-4-8-17(18)14-22-13-12-20-15-22/h1-13,15H,14H2,(H,21,23)/b11-10+
InChIKey
ZVJJYVDXKBCBSL-ZHACJKMWSA-N
Compound name
(E)-N-[2-(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]+ 304.14446 171.8
[M+Na]+ 326.12640 177.8
[M-H]- 302.12990 178.6
[M+NH4]+ 321.17100 184.7
[M+K]+ 342.10034 171.6
[M+H-H2O]+ 286.13444 161.2
[M+HCOO]- 348.13538 194.6
[M+CH3COO]- 362.15103 182.2
[M+Na-2H]- 324.11185 175.6
[M]+ 303.13663 170.7
[M]- 303.13773 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.