CID 147035

102390-63-6

Structural Information

Molecular Formula

C₁₇H₁₆N₂

SMILES

C1=CC=C(C=C1)C(CC2=CN=CN2)C3=CC=CC=C3

InChI

InChI=1S/C17H16N2/c1-3-7-14(8-4-1)17(11-16-12-18-13-19-16)15-9-5-2-6-10-15/h1-10,12-13,17H,11H2,(H,18,19)

InChIKey

CGWCKWISXYESMC-UHFFFAOYSA-N

Compound name

5-(2,2-diphenylethyl)-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 20
Patents: 248.13135 Da
Monoisotopic Mass: 3.8
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	157.2
[M+Na]+	271.12057	163.0
[M-H]-	247.12407	162.4
[M+NH4]+	266.16517	171.8
[M+K]+	287.09451	157.1
[M+H-H2O]+	231.12861	147.5
[M+HCOO]-	293.12955	177.5
[M+CH3COO]-	307.14520	168.1
[M+Na-2H]-	269.10602	161.8
[M]+	248.13080	154.0
[M]-	248.13190	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe