CID 2384305

726152-30-3

Structural Information

Molecular Formula

C₁₅H₁₄N₄O

SMILES

C1=CC=C2C(=C1)NC(=N2)CC(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C15H14N4O/c20-15(17-10-11-5-3-4-8-16-11)9-14-18-12-6-1-2-7-13(12)19-14/h1-8H,9-10H2,(H,17,20)(H,18,19)

InChIKey

QEHRWWCXCHKMJM-UHFFFAOYSA-N

Compound name

2-(1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 266.11676 Da
Monoisotopic Mass: 1.2
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]+	267.124036	159.0
[M+Na]+	289.105978	167.1
[M-H]-	265.109484	161.7
[M+NH4]+	284.150583	172.9
[M+K]+	305.079918	161.2
[M+H-H2O]+	249.114020	149.4
[M+HCOO]-	311.114961	180.0
[M+CH3COO]-	325.130611	169.9
[M+Na-2H]-	287.091426	166.3
[M]+	266.11621142	158.9
[M]-	266.11730858	158.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.