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

4
Patents

212.09496 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10224 144.0
[M+Na]+ 235.08418 155.4
[M-H]- 211.08768 150.9
[M+NH4]+ 230.12878 163.7
[M+K]+ 251.05812 152.7
[M+H-H2O]+ 195.09222 136.9
[M+HCOO]- 257.09316 168.3
[M+CH3COO]- 271.10881 158.7
[M+Na-2H]- 233.06963 150.1
[M]+ 212.09441 148.5
[M]- 212.09551 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe