CID 659559

378208-16-3

Structural Information

Molecular Formula

C₁₃H₁₁N₃O₂

SMILES

C1=CC=C2C(=C1)NC(=N2)CNC(=O)C3=CC=CO3

InChI

InChI=1S/C13H11N3O2/c17-13(11-6-3-7-18-11)14-8-12-15-9-4-1-2-5-10(9)16-12/h1-7H,8H2,(H,14,17)(H,15,16)

InChIKey

WFEIYWNIMQWEHE-UHFFFAOYSA-N

Compound name

N-(1H-benzimidazol-2-ylmethyl)furan-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 241.08513 Da
Monoisotopic Mass: 1.7
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]+	242.092406	150.3
[M+Na]+	264.074348	159.1
[M-H]-	240.077854	155.7
[M+NH4]+	259.118953	167.2
[M+K]+	280.048288	156.0
[M+H-H2O]+	224.082390	142.7
[M+HCOO]-	286.083331	173.5
[M+CH3COO]-	300.098981	163.1
[M+Na-2H]-	262.059796	156.3
[M]+	241.08458142	151.9
[M]-	241.08567858	151.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.