CID 803963

110178-74-0

Structural Information

Molecular Formula

C₁₄H₁₃N₃

SMILES

CC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)N

InChI

InChI=1S/C14H13N3/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,15H2,1H3,(H,16,17)

InChIKey

BQAHOIQJVNOZKN-UHFFFAOYSA-N

Compound name

4-(6-methyl-1H-benzimidazol-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 52
Patents: 223.11095 Da
Monoisotopic Mass: 2.9
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]+	224.11823	149.3
[M+Na]+	246.10017	164.7
[M+NH4]+	241.14477	158.3
[M+K]+	262.07411	158.6
[M-H]-	222.10367	153.9
[M+Na-2H]-	244.08562	158.4
[M]+	223.11040	152.8
[M]-	223.11150	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe