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

0
Patents

246.10045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 154.6
[M+Na]+ 269.08967 163.2
[M-H]- 245.09317 156.8
[M+NH4]+ 264.13427 169.8
[M+K]+ 285.06361 159.3
[M+H-H2O]+ 229.09771 147.0
[M+HCOO]- 291.09865 174.3
[M+CH3COO]- 305.11430 188.9
[M+Na-2H]- 267.07512 156.4
[M]+ 246.09990 155.6
[M]- 246.10100 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.