CID 170742

43182-10-1

Structural Information

Molecular Formula

C₁₄H₁₃N₃

SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2N

InChI

InChI=1S/C14H13N3/c15-14-16-12-8-4-5-9-13(12)17(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,15,16)

InChIKey

LXIDSOCBAAMGJX-UHFFFAOYSA-N

Compound name

1-benzylbenzimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 67
Patents: 223.11095 Da
Monoisotopic Mass: 2.5
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	148.8
[M+Na]+	246.10017	164.4
[M+NH4]+	241.14477	158.2
[M+K]+	262.07411	157.8
[M-H]-	222.10367	153.8
[M+Na-2H]-	244.08562	158.8
[M]+	223.11040	152.5
[M]-	223.11150	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe