CID 14704648

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

Structural Information

Molecular Formula
C20H16O9
SMILES
COC1=CC(=CC2=C1OCO2)C3=C(C(=O)C4=C(C5=C(C=C4O3)OCO5)OC)OC
InChI
InChI=1S/C20H16O9/c1-22-11-4-9(5-12-17(11)27-7-25-12)16-20(24-3)15(21)14-10(29-16)6-13-18(19(14)23-2)28-8-26-13/h4-6H,7-8H2,1-3H3
InChIKey
XOQCFHSJZRFZEQ-UHFFFAOYSA-N
Compound name
7,9-dimethoxy-6-(7-methoxy-1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

patents stripe