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

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]+	385.128176	189.0
[M+Na]+	407.110118	198.5
[M-H]-	383.113624	193.6
[M+NH4]+	402.154723	198.4
[M+K]+	423.084058	195.3
[M+H-H2O]+	367.118160	181.2
[M+HCOO]-	429.119101	204.0
[M+CH3COO]-	443.134751	216.4
[M+Na-2H]-	405.095566	189.0
[M]+	384.12035142	193.9
[M]-	384.12144858	193.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.