CID 2947591

637325-01-0

Structural Information

Molecular Formula

C₁₇H₁₈N₂

SMILES

CC1=CC2=C(C=C1C)N(C=N2)C(C)C3=CC=CC=C3

InChI

InChI=1S/C17H18N2/c1-12-9-16-17(10-13(12)2)19(11-18-16)14(3)15-7-5-4-6-8-15/h4-11,14H,1-3H3

InChIKey

PZEYBOSJUVVTEO-UHFFFAOYSA-N

Compound name

5,6-dimethyl-1-(1-phenylethyl)benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 250.147 Da
Monoisotopic Mass: 4.2
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]+	251.154276	158.7
[M+Na]+	273.136218	169.0
[M-H]-	249.139724	164.6
[M+NH4]+	268.180823	176.5
[M+K]+	289.110158	163.7
[M+H-H2O]+	233.144260	150.2
[M+HCOO]-	295.145201	180.5
[M+CH3COO]-	309.160851	171.6
[M+Na-2H]-	271.121666	163.1
[M]+	250.14645142	161.4
[M]-	250.14754858	161.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.