CID 44260082

5,4'-dihydroxy-3,6,7,8,2'-pentamethoxyflavone

Structural Information

Molecular Formula
C20H20O9
SMILES
COC1=C(C=CC(=C1)O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC
InChI
InChI=1S/C20H20O9/c1-24-11-8-9(21)6-7-10(11)15-17(25-2)13(22)12-14(23)18(26-3)20(28-5)19(27-4)16(12)29-15/h6-8,21,23H,1-5H3
InChIKey
WBFHWBRIUFXNAU-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.11072 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.117996 189.4
[M+Na]+ 427.099938 200.3
[M-H]- 403.103444 197.1
[M+NH4]+ 422.144543 199.5
[M+K]+ 443.073878 200.7
[M+H-H2O]+ 387.107980 180.5
[M+HCOO]- 449.108921 208.7
[M+CH3COO]- 463.124571 223.9
[M+Na-2H]- 425.085386 191.7
[M]+ 404.11017142 202.1
[M]- 404.11126858 202.1
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.