CID 3073604

1-ethyl-2-(benzofuran-2-yl)imidazole hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₂N₂O

SMILES

CCN1C=CN=C1C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C13H12N2O/c1-2-15-8-7-14-13(15)12-9-10-5-3-4-6-11(10)16-12/h3-9H,2H2,1H3

InChIKey

ASKIKIJGCYORNM-UHFFFAOYSA-N

Compound name

2-(1-benzofuran-2-yl)-1-ethylimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 212.09496 Da
Monoisotopic Mass: 2.4
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]+	213.102236	144.0
[M+Na]+	235.084178	155.4
[M-H]-	211.087684	150.9
[M+NH4]+	230.128783	163.7
[M+K]+	251.058118	152.7
[M+H-H2O]+	195.092220	136.9
[M+HCOO]-	257.093161	168.3
[M+CH3COO]-	271.108811	158.7
[M+Na-2H]-	233.069626	150.1
[M]+	212.09441142	148.5
[M]-	212.09550858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe