CID 44259874

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

Structural Information

Molecular Formula
C18H14O8
SMILES
COC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC4=C(C=C3)OCO4)OC
InChI
InChI=1S/C18H14O8/c1-22-17-9(19)6-12-13(18(17)23-2)14(20)15(21)16(26-12)8-3-4-10-11(5-8)25-7-24-10/h3-6,19,21H,7H2,1-2H3
InChIKey
KNMBMVIRNMTOOU-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-3,7-dihydroxy-5,6-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.06888 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07616 177.0
[M+Na]+ 381.05810 188.2
[M-H]- 357.06160 186.8
[M+NH4]+ 376.10270 188.7
[M+K]+ 397.03204 188.9
[M+H-H2O]+ 341.06614 170.6
[M+HCOO]- 403.06708 194.2
[M+CH3COO]- 417.08273 189.5
[M+Na-2H]- 379.04355 182.1
[M]+ 358.06833 186.3
[M]- 358.06943 186.3
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.