CID 5025739

Abt-724

Structural Information

Molecular Formula

C₁₇H₁₉N₅

SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=N4

InChI

InChI=1S/C17H19N5/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17/h1-8H,9-13H2,(H,19,20)

InChIKey

FRPJGTNLZNXQEX-UHFFFAOYSA-N

Compound name

2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 16
References: 157
Patents: 293.16403 Da
Monoisotopic Mass: 2.2
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]+	294.17131	170.1
[M+Na]+	316.15325	185.6
[M+NH4]+	311.19785	177.7
[M+K]+	332.12719	179.0
[M-H]-	292.15675	174.1
[M+Na-2H]-	314.13870	179.4
[M]+	293.16348	173.5
[M]-	293.16458	173.5

Literature stripe

literature stripe

Patent stripe

patents stripe