CID 610671

21578-58-5

Structural Information

Molecular Formula

C₁₃H₁₁N₃

SMILES

C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C13H11N3/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16-13/h1-9H,(H2,14,15,16)

InChIKey

OUAAURDVPDKVAK-UHFFFAOYSA-N

Compound name

N-phenyl-1H-benzimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 781
Patents: 209.09529 Da
Monoisotopic Mass: 3.1
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]+	210.10257	144.4
[M+Na]+	232.08451	159.6
[M+NH4]+	227.12911	153.8
[M+K]+	248.05845	153.1
[M-H]-	208.08801	149.1
[M+Na-2H]-	230.06996	154.8
[M]+	209.09474	148.0
[M]-	209.09584	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe