CID 44260025

5-hydroxy-3,8-dimethoxy-3',4'-methylenedioxy-7-prenyloxyflavone

Structural Information

Molecular Formula
C23H22O8
SMILES
CC(=CCOC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)OC)OC)C
InChI
InChI=1S/C23H22O8/c1-12(2)7-8-28-17-10-14(24)18-19(25)23(27-4)20(31-22(18)21(17)26-3)13-5-6-15-16(9-13)30-11-29-15/h5-7,9-10,24H,8,11H2,1-4H3
InChIKey
IBKHFDNXHBVBAD-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-5-hydroxy-3,8-dimethoxy-7-(3-methylbut-2-enoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.13147 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.138746 200.0
[M+Na]+ 449.120688 209.3
[M-H]- 425.124194 210.2
[M+NH4]+ 444.165293 209.4
[M+K]+ 465.094628 209.9
[M+H-H2O]+ 409.128730 192.7
[M+HCOO]- 471.129671 216.1
[M+CH3COO]- 485.145321 228.2
[M+Na-2H]- 447.106136 201.6
[M]+ 426.13092142 211.1
[M]- 426.13201858 211.1
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.