CID 5368838

Glutaconaldehyde dianilide hydrochloride

Structural Information

Molecular Formula

C₁₇H₁₆N₂

SMILES

C1=CC=C(C=C1)N/C=C/C=C/C=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/b9-3+,14-8+,19-15?

InChIKey

UDWRJSSBFBSTOO-LZQZHQDYSA-N

Compound name

N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 621
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]+	249.13863	161.0
[M+Na]+	271.12057	174.5
[M+NH4]+	266.16517	169.7
[M+K]+	287.09451	164.1
[M-H]-	247.12407	167.2
[M+Na-2H]-	269.10602	171.5
[M]+	248.13080	164.6
[M]-	248.13190	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe