CID 13942547

3,5,8-trimethoxy-3',4'-methylenedioxy-7-prenyloxyflavone

Structural Information

Molecular Formula
C24H24O8
SMILES
CC(=CCOC1=C(C2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)OC)OC)C
InChI
InChI=1S/C24H24O8/c1-13(2)8-9-29-18-11-17(26-3)19-20(25)24(28-5)21(32-23(19)22(18)27-4)14-6-7-15-16(10-14)31-12-30-15/h6-8,10-11H,9,12H2,1-5H3
InChIKey
VQXYWNMNFIVUBJ-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-3,5,8-trimethoxy-7-(3-methylbut-2-enoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.14713 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.15441 204.5
[M+Na]+ 463.13635 213.8
[M-H]- 439.13985 215.9
[M+NH4]+ 458.18095 214.0
[M+K]+ 479.11029 214.9
[M+H-H2O]+ 423.14439 196.7
[M+HCOO]- 485.14533 221.7
[M+CH3COO]- 499.16098 233.1
[M+Na-2H]- 461.12180 205.9
[M]+ 440.14658 217.6
[M]- 440.14768 217.6
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.