CID 13942548

3,5,8-trimethoxy-6,7:3',4'-bis(methylenedioxy)flavone

Structural Information

Molecular Formula
C20H16O9
SMILES
COC1=C2C(=C(C3=C1C(=O)C(=C(O3)C4=CC5=C(C=C4)OCO5)OC)OC)OCO2
InChI
InChI=1S/C20H16O9/c1-22-15-12-13(21)17(23-2)14(9-4-5-10-11(6-9)26-7-25-10)29-16(12)18(24-3)20-19(15)27-8-28-20/h4-6H,7-8H2,1-3H3
InChIKey
QIQROODGFFUJKS-UHFFFAOYSA-N
Compound name
6-(1,3-benzodioxol-5-yl)-4,7,9-trimethoxy-[1,3]dioxolo[4,5-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.07944 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.08672 186.0
[M+Na]+ 423.06866 197.3
[M-H]- 399.07216 200.2
[M+NH4]+ 418.11326 197.1
[M+K]+ 439.04260 201.2
[M+H-H2O]+ 383.07670 182.1
[M+HCOO]- 445.07764 202.5
[M+CH3COO]- 459.09329 199.0
[M+Na-2H]- 421.05411 190.3
[M]+ 400.07889 199.9
[M]- 400.07999 199.9
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.