CID 5328453

4-(1h-benzimidazol-1-yl)aniline

Structural Information

Molecular Formula

C₁₃H₁₁N₃

SMILES

C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)N

InChI

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

InChIKey

DWYMPMWWYZEKLQ-UHFFFAOYSA-N

Compound name

4-(benzimidazol-1-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 39
Patents: 209.09529 Da
Monoisotopic Mass: 2.4
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	144.2
[M+Na]+	232.08451	160.0
[M+NH4]+	227.12911	153.7
[M+K]+	248.05845	153.6
[M-H]-	208.08801	149.2
[M+Na-2H]-	230.06996	154.5
[M]+	209.09474	148.0
[M]-	209.09584	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe