CID 899323

Zln005

Structural Information

Molecular Formula

C₁₇H₁₈N₂

SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2

InChI

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

InChIKey

LQUNNCQSFFKSSK-UHFFFAOYSA-N

Compound name

2-(4-tert-butylphenyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 21
References: 142
Patents: 250.147 Da
Monoisotopic Mass: 4.9
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	159.3
[M+Na]+	273.13622	175.0
[M+NH4]+	268.18082	168.3
[M+K]+	289.11016	168.5
[M-H]-	249.13972	163.1
[M+Na-2H]-	271.12167	168.7
[M]+	250.14645	162.9
[M]-	250.14755	162.9

Literature stripe

literature stripe

Patent stripe

patents stripe