CID 9977553

3,5-dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone

Structural Information

Molecular Formula
C19H16O9
SMILES
COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)O)OC)OC
InChI
InChI=1S/C19H16O9/c1-23-17-13(21)11-12(20)14(22)15(28-16(11)18(24-2)19(17)25-3)8-4-5-9-10(6-8)27-7-26-9/h4-6,21-22H,7H2,1-3H3
InChIKey
VEJKPQYWRAAMHA-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-3,5-dihydroxy-6,7,8-trimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.07944 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.08672 184.5
[M+Na]+ 411.06866 195.7
[M-H]- 387.07216 194.5
[M+NH4]+ 406.11326 195.1
[M+K]+ 427.04260 197.2
[M+H-H2O]+ 371.07670 177.8
[M+HCOO]- 433.07764 201.4
[M+CH3COO]- 447.09329 218.8
[M+Na-2H]- 409.05411 188.7
[M]+ 388.07889 196.0
[M]- 388.07999 196.0
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.