CID 131753119

6-hydroxy-3,3',4',5,7,8-hexamethoxyflavone

Structural Information

Molecular Formula
C21H22O9
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)O)OC)OC)OC)OC
InChI
InChI=1S/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-19(27-4)14(22)13-17(26-3)15(23)20(28-5)21(29-6)18(13)30-16/h7-9,23H,1-6H3
InChIKey
VCOWIXWIOZUOJS-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-6-hydroxy-3,5,7,8-tetramethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.12637 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.13365 195.3
[M+Na]+ 441.11559 210.5
[M+NH4]+ 436.16019 200.0
[M+K]+ 457.08953 205.6
[M-H]- 417.11909 199.1
[M+Na-2H]- 439.10104 199.3
[M]+ 418.12582 198.6
[M]- 418.12692 198.6
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.