CID 6474849

N-[(e)-cinnamyl]-3-(imidazol-1-ylmethyl)aniline

Structural Information

Molecular Formula
C19H19N3
SMILES
C1=CC=C(C=C1)/C=C/CNC2=CC=CC(=C2)CN3C=CN=C3
InChI
InChI=1S/C19H19N3/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/h1-10,12-14,16,21H,11,15H2/b9-5+
InChIKey
RUDKRJVGBKSIGY-WEVVVXLNSA-N
Compound name
3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1579 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.16518 168.5
[M+Na]+ 312.14712 174.6
[M-H]- 288.15062 175.0
[M+NH4]+ 307.19172 182.1
[M+K]+ 328.12106 167.8
[M+H-H2O]+ 272.15516 157.8
[M+HCOO]- 334.15610 191.9
[M+CH3COO]- 348.17175 179.1
[M+Na-2H]- 310.13257 173.4
[M]+ 289.15735 167.3
[M]- 289.15845 167.3
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.