CID 9568778

Cinnamaldehyde azine

Structural Information

Molecular Formula

C₁₈H₁₆N₂

SMILES

C1=CC=C(C=C1)/C=C/C=N/N=C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C18H16N2/c1-3-9-17(10-4-1)13-7-15-19-20-16-8-14-18-11-5-2-6-12-18/h1-16H/b13-7+,14-8+,19-15+,20-16+

InChIKey

MIBXLDBZXACZIE-MKXOLOGGSA-N

Compound name

(E,E)-3-phenyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]prop-2-en-1-imine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 4
Patents: 260.13135 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	261.138626	161.3
[M+Na]+	283.120568	166.9
[M-H]-	259.124074	169.7
[M+NH4]+	278.165173	178.3
[M+K]+	299.094508	161.2
[M+H-H2O]+	243.128610	152.2
[M+HCOO]-	305.129551	190.2
[M+CH3COO]-	319.145201	203.2
[M+Na-2H]-	281.106016	168.9
[M]+	260.13080142	161.0
[M]-	260.13189858	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe