CID 73903

5608-83-3

Structural Information

Molecular Formula

C₁₇H₁₆N₂

SMILES

C1=CC=C(C=C1)NC=CC=CC=NC2=CC=CC=C2

InChI

InChI=1S/C17H16N2/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17/h1-15,18H

InChIKey

UDWRJSSBFBSTOO-UHFFFAOYSA-N

Compound name

N-(5-phenyliminopenta-1,3-dienyl)aniline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 774
Patents: 248.13135 Da
Monoisotopic Mass: 4.0
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]+	249.138626	157.6
[M+Na]+	271.120568	162.8
[M-H]-	247.124074	164.7
[M+NH4]+	266.165173	174.4
[M+K]+	287.094508	157.1
[M+H-H2O]+	231.128610	149.0
[M+HCOO]-	293.129551	185.2
[M+CH3COO]-	307.145201	199.0
[M+Na-2H]-	269.106016	165.4
[M]+	248.13080142	155.9
[M]-	248.13189858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe