CID 25067484

1135318-57-8

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₃

SMILES

CCC1=NC=CN1CC(=O)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C13H14N2O3/c1-2-13-14-5-6-15(13)8-12(18)9-3-4-10(16)11(17)7-9/h3-7,16-17H,2,8H2,1H3

InChIKey

KRFQWVXRVPHWCH-UHFFFAOYSA-N

Compound name

1-(3,4-dihydroxyphenyl)-2-(2-ethylimidazol-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 246.10045 Da
Monoisotopic Mass: 1.6
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]+	247.107726	154.6
[M+Na]+	269.089668	163.2
[M-H]-	245.093174	156.8
[M+NH4]+	264.134273	169.8
[M+K]+	285.063608	159.3
[M+H-H2O]+	229.097710	147.0
[M+HCOO]-	291.098651	174.3
[M+CH3COO]-	305.114301	188.9
[M+Na-2H]-	267.075116	156.4
[M]+	246.09990142	155.6
[M]-	246.10099858	155.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.