CID 44259873

5,4'-dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone

Structural Information

Molecular Formula
C18H14O8
SMILES
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C4=C(C=C3O2)OCO4)O)OC)O
InChI
InChI=1S/C18H14O8/c1-22-10-5-8(3-4-9(10)19)16-18(23-2)15(21)13-11(26-16)6-12-17(14(13)20)25-7-24-12/h3-6,19-20H,7H2,1-2H3
InChIKey
QDUQFPNXGXDSQJ-UHFFFAOYSA-N
Compound name
9-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-7-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

58
Patents

358.06888 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07616 177.4
[M+Na]+ 381.05810 192.1
[M+NH4]+ 376.10270 183.6
[M+K]+ 397.03204 190.1
[M-H]- 357.06160 183.9
[M+Na-2H]- 379.04355 179.9
[M]+ 358.06833 181.4
[M]- 358.06943 181.4
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