CID 2357239

519152-79-5

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₂

SMILES

C1=CC=C2C(=C1)NC(=N2)CC(=O)NCC3=CC=CO3

InChI

InChI=1S/C14H13N3O2/c18-14(15-9-10-4-3-7-19-10)8-13-16-11-5-1-2-6-12(11)17-13/h1-7H,8-9H2,(H,15,18)(H,16,17)

InChIKey

WHXYDNRPQKKYAE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 255.10077 Da
Monoisotopic Mass: 1.3
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]+	256.108046	154.9
[M+Na]+	278.089988	163.3
[M-H]-	254.093494	160.1
[M+NH4]+	273.134593	171.2
[M+K]+	294.063928	159.9
[M+H-H2O]+	238.098030	147.1
[M+HCOO]-	300.098971	177.8
[M+CH3COO]-	314.114621	167.3
[M+Na-2H]-	276.075436	160.4
[M]+	255.10022142	156.9
[M]-	255.10131858	156.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.