CID 12314353

Piscerythrone

Structural Information

Molecular Formula
C21H20O7
SMILES
CC(=CCC1=C(C(=CC(=C1O)OC)C2=COC3=CC(=CC(=C3C2=O)O)O)O)C
InChI
InChI=1S/C21H20O7/c1-10(2)4-5-12-19(24)13(8-17(27-3)20(12)25)14-9-28-16-7-11(22)6-15(23)18(16)21(14)26/h4,6-9,22-25H,5H2,1-3H3
InChIKey
LNKQZQNXQQZHHW-UHFFFAOYSA-N
Compound name
3-[2,4-dihydroxy-5-methoxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1209 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12818 189.0
[M+Na]+ 407.11012 198.5
[M-H]- 383.11362 193.6
[M+NH4]+ 402.15472 198.4
[M+K]+ 423.08406 195.3
[M+H-H2O]+ 367.11816 181.2
[M+HCOO]- 429.11910 204.0
[M+CH3COO]- 443.13475 216.4
[M+Na-2H]- 405.09557 189.0
[M]+ 384.12035 193.9
[M]- 384.12145 193.9
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.