CID 10360893

Licoagrodione

Structural Information

Molecular Formula

C₂₀H₂₀O₆

SMILES

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

InChI

InChI=1S/C20H20O6/c1-11(2)4-6-13-16(21)9-8-15(18(13)23)20(25)19(24)14-7-5-12(26-3)10-17(14)22/h4-5,7-10,21-23H,6H2,1-3H3

InChIKey

KAQKSYKCXCTGOG-UHFFFAOYSA-N

Compound name

1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1
Patents: 356.12598 Da
Monoisotopic Mass: 4.8
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]+	357.133256	180.9
[M+Na]+	379.115198	187.4
[M-H]-	355.118704	184.2
[M+NH4]+	374.159803	191.7
[M+K]+	395.089138	183.9
[M+H-H2O]+	339.123240	173.6
[M+HCOO]-	401.124181	197.4
[M+CH3COO]-	415.139831	211.5
[M+Na-2H]-	377.100646	177.7
[M]+	356.12543142	183.2
[M]-	356.12652858	183.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.