CID 170629

42268-60-0

Structural Information

Molecular Formula

C₁₈H₁₄N₂

SMILES

C1=CC=C2C(=C1)C=CC=C2CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H14N2/c1-2-9-15-13(6-1)7-5-8-14(15)12-18-19-16-10-3-4-11-17(16)20-18/h1-11H,12H2,(H,19,20)

InChIKey

VJRPHCDQRJAVSR-UHFFFAOYSA-N

Compound name

2-(naphthalen-1-ylmethyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 52
Patents: 258.1157 Da
Monoisotopic Mass: 4.7
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]+	259.122976	158.3
[M+Na]+	281.104918	168.5
[M-H]-	257.108424	163.3
[M+NH4]+	276.149523	175.5
[M+K]+	297.078858	160.7
[M+H-H2O]+	241.112960	149.4
[M+HCOO]-	303.113901	178.9
[M+CH3COO]-	317.129551	170.4
[M+Na-2H]-	279.090366	166.4
[M]+	258.11515142	158.4
[M]-	258.11624858	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe