CID 52780

N-(3,4-dihydroxyphenacyl)imidazole hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃

SMILES

C1=CC(=C(C=C1C(=O)CN2C=CN=C2)O)O

InChI

InChI=1S/C11H10N2O3/c14-9-2-1-8(5-10(9)15)11(16)6-13-4-3-12-7-13/h1-5,7,14-15H,6H2

InChIKey

JHQYDDFNYJJOIA-UHFFFAOYSA-N

Compound name

1-(3,4-dihydroxyphenyl)-2-imidazol-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 1
Patents: 218.06914 Da
Monoisotopic Mass: 0.8
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]+	219.07642	147.2
[M+Na]+	241.05836	159.1
[M+NH4]+	236.10296	153.5
[M+K]+	257.03230	156.3
[M-H]-	217.06186	147.8
[M+Na-2H]-	239.04381	153.3
[M]+	218.06859	148.7
[M]-	218.06969	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe