CID 9844898

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

Structural Information

Molecular Formula
C21H22O9
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)O)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)20(28-5)15(23)21(29-6)18(13)30-16/h7-9,23H,1-6H3
InChIKey
LIHVLVGTXLTMAQ-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-7-hydroxy-3,5,6,8-tetramethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
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

patents stripe