CID 5274829

Chembl360259

Structural Information

Molecular Formula

C₁₅H₁₄N₄O₂

SMILES

C1=CC(=C2C(=C1)NC(=N2)C3=CC=NC=C3)C(=O)NCCO

InChI

InChI=1S/C15H14N4O2/c20-9-8-17-15(21)11-2-1-3-12-13(11)19-14(18-12)10-4-6-16-7-5-10/h1-7,20H,8-9H2,(H,17,21)(H,18,19)

InChIKey

UXSHWSABSAGMII-UHFFFAOYSA-N

Compound name

N-(2-hydroxyethyl)-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 282.11166 Da
Monoisotopic Mass: 0.7
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]+	283.118936	162.5
[M+Na]+	305.100878	170.9
[M-H]-	281.104384	164.3
[M+NH4]+	300.145483	175.3
[M+K]+	321.074818	164.9
[M+H-H2O]+	265.108920	153.3
[M+HCOO]-	327.109861	182.3
[M+CH3COO]-	341.125511	173.0
[M+Na-2H]-	303.086326	168.8
[M]+	282.11111142	162.4
[M]-	282.11220858	162.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.