CID 10021298

Glicophenone

Structural Information

Molecular Formula

C₂₀H₂₂O₆

SMILES

CC(=CCC1=C(C(=C(C=C1O)O)CC(=O)C2=C(C=C(C=C2)O)O)OC)C

InChI

InChI=1S/C20H22O6/c1-11(2)4-6-14-18(24)10-19(25)15(20(14)26-3)9-17(23)13-7-5-12(21)8-16(13)22/h4-5,7-8,10,21-22,24-25H,6,9H2,1-3H3

InChIKey

JYRFVDHHGPHQBG-UHFFFAOYSA-N

Compound name

2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-1-(2,4-dihydroxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 358.14163 Da
Monoisotopic Mass: 4.2
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]+	359.148906	183.0
[M+Na]+	381.130848	189.9
[M-H]-	357.134354	185.1
[M+NH4]+	376.175453	193.5
[M+K]+	397.104788	185.7
[M+H-H2O]+	341.138890	175.9
[M+HCOO]-	403.139831	198.7
[M+CH3COO]-	417.155481	210.5
[M+Na-2H]-	379.116296	179.7
[M]+	358.14108142	185.2
[M]-	358.14217858	185.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.