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

0
Patents

356.12598 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 180.9
[M+Na]+ 379.11520 187.4
[M-H]- 355.11870 184.2
[M+NH4]+ 374.15980 191.7
[M+K]+ 395.08914 183.9
[M+H-H2O]+ 339.12324 173.6
[M+HCOO]- 401.12418 197.4
[M+CH3COO]- 415.13983 211.5
[M+Na-2H]- 377.10065 177.7
[M]+ 356.12543 183.2
[M]- 356.12653 183.2
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.