CID 14744980

87927-77-3

Structural Information

Molecular Formula

C₁₇H₁₆N₂

SMILES

CC1=C(N=C(N1)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C17H16N2/c1-13-16(12-14-8-4-2-5-9-14)19-17(18-13)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,18,19)

InChIKey

NKVXEXBFJUACKT-UHFFFAOYSA-N

Compound name

4-benzyl-5-methyl-2-phenyl-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 248.13135 Da
Monoisotopic Mass: 4.1
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	157.4
[M+Na]+	271.120568	165.6
[M-H]-	247.124074	163.4
[M+NH4]+	266.165173	172.8
[M+K]+	287.094508	159.1
[M+H-H2O]+	231.128610	148.1
[M+HCOO]-	293.129551	178.8
[M+CH3COO]-	307.145201	169.2
[M+Na-2H]-	269.106016	161.7
[M]+	248.13080142	155.7
[M]-	248.13189858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe