CID 667551

1426290-55-2

Structural Information

Molecular Formula

C₁₂H₁₆N₄

SMILES

CN1C2=CC=CC=C2N=C1N3CCNCC3

InChI

InChI=1S/C12H16N4/c1-15-11-5-3-2-4-10(11)14-12(15)16-8-6-13-7-9-16/h2-5,13H,6-9H2,1H3

InChIKey

XBTIVKKHGCXLGP-UHFFFAOYSA-N

Compound name

1-methyl-2-piperazin-1-ylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 47
Patents: 216.1375 Da
Monoisotopic Mass: 1.1
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]+	217.14478	149.5
[M+Na]+	239.12672	163.3
[M+NH4]+	234.17132	157.7
[M+K]+	255.10066	157.9
[M-H]-	215.13022	151.7
[M+Na-2H]-	237.11217	156.5
[M]+	216.13695	152.0
[M]-	216.13805	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe