CID 962387

141211-39-4

Structural Information

Molecular Formula

C₁₇H₁₈N₂

SMILES

CC1=CC=C(C=C1)CN2C=NC3=C2C=C(C(=C3)C)C

InChI

InChI=1S/C17H18N2/c1-12-4-6-15(7-5-12)10-19-11-18-16-8-13(2)14(3)9-17(16)19/h4-9,11H,10H2,1-3H3

InChIKey

PRIOFQYYSHATGH-UHFFFAOYSA-N

Compound name

5,6-dimethyl-1-[(4-methylphenyl)methyl]benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 250.147 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]+	251.15428	158.7
[M+Na]+	273.13622	170.3
[M-H]-	249.13972	164.8
[M+NH4]+	268.18082	176.9
[M+K]+	289.11016	164.4
[M+H-H2O]+	233.14426	150.3
[M+HCOO]-	295.14520	181.4
[M+CH3COO]-	309.16085	172.0
[M+Na-2H]-	271.12167	163.4
[M]+	250.14645	162.4
[M]-	250.14755	162.4

Literature stripe

literature stripe

Patent stripe

patents stripe