CID 5139788

74181-31-0

Structural Information

Molecular Formula

C₁₈H₁₈N₂

SMILES

CCCC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2/c1-2-9-16-19-17(14-10-5-3-6-11-14)18(20-16)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3,(H,19,20)

InChIKey

HYQVIXGSNDUWKE-UHFFFAOYSA-N

Compound name

4,5-diphenyl-2-propyl-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 262.147 Da
Monoisotopic Mass: 4.6
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]+	263.154276	161.9
[M+Na]+	285.136218	169.6
[M-H]-	261.139724	167.7
[M+NH4]+	280.180823	176.7
[M+K]+	301.110158	162.9
[M+H-H2O]+	245.144260	152.4
[M+HCOO]-	307.145201	183.0
[M+CH3COO]-	321.160851	173.2
[M+Na-2H]-	283.121666	165.7
[M]+	262.14645142	160.5
[M]-	262.14754858	160.5

Literature stripe

literature stripe

Patent stripe

patents stripe