CID 348695

7596-74-9

Structural Information

Molecular Formula

C₁₃H₁₁N₃

SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)N

InChI

InChI=1S/C13H11N3/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,14H2,(H,15,16)

InChIKey

JHTBOVFZNCAYFZ-UHFFFAOYSA-N

Compound name

3-(1H-benzimidazol-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 85
Patents: 209.09529 Da
Monoisotopic Mass: 2.6
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]+	210.10257	144.5
[M+Na]+	232.08451	159.8
[M+NH4]+	227.12911	153.7
[M+K]+	248.05845	153.7
[M-H]-	208.08801	149.1
[M+Na-2H]-	230.06996	154.2
[M]+	209.09474	148.0
[M]-	209.09584	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe