CID 111192

51143-35-2

Structural Information

Molecular Formula

C₁₇H₁₆N₂

SMILES

C1=CC=C(C=C1)N=CCC=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/h1-8,10-15H,9H2

InChIKey

OYTZUGLPJZKBKS-UHFFFAOYSA-N

Compound name

N,N'-diphenylpent-2-ene-1,5-diimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 578
Patents: 248.13135 Da
Monoisotopic Mass: 3.3
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	157.6
[M+Na]+	271.12057	163.2
[M-H]-	247.12407	166.1
[M+NH4]+	266.16517	175.1
[M+K]+	287.09451	158.4
[M+H-H2O]+	231.12861	148.7
[M+HCOO]-	293.12955	186.7
[M+CH3COO]-	307.14520	201.6
[M+Na-2H]-	269.10602	165.8
[M]+	248.13080	157.7
[M]-	248.13190	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe