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]+ 427.13875 200.0
[M+Na]+ 449.12069 209.3
[M-H]- 425.12419 210.2
[M+NH4]+ 444.16529 209.4
[M+K]+ 465.09463 209.9
[M+H-H2O]+ 409.12873 192.7
[M+HCOO]- 471.12967 216.1
[M+CH3COO]- 485.14532 228.2
[M+Na-2H]- 447.10614 201.6
[M]+ 426.13092 211.1
[M]- 426.13202 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.