CID 6474840

{[3-(1-aza-4-phenylbuta-1,3-dienyl)phenyl]methyl}imidazole

Structural Information

Molecular Formula
C19H17N3
SMILES
C1=CC=C(C=C1)/C=C/C=NC2=CC=CC(=C2)CN3C=CN=C3
InChI
InChI=1S/C19H17N3/c1-2-6-17(7-3-1)9-5-11-21-19-10-4-8-18(14-19)15-22-13-12-20-16-22/h1-14,16H,15H2/b9-5+,21-11?
InChIKey
VECMLJISLKDVJE-QZJSVCSQSA-N
Compound name
(E)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-en-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.14224 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14952 168.3
[M+Na]+ 310.13146 175.2
[M-H]- 286.13496 176.2
[M+NH4]+ 305.17606 182.7
[M+K]+ 326.10540 168.7
[M+H-H2O]+ 270.13950 157.3
[M+HCOO]- 332.14044 193.3
[M+CH3COO]- 346.15609 179.6
[M+Na-2H]- 308.11691 173.5
[M]+ 287.14169 168.1
[M]- 287.14279 168.1
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.