CID 90658182

2'-hydroxy 3,6,7,3',4'-pentamethylquercetagetin

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
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]+ 405.11800 191.6
[M+Na]+ 427.09994 206.4
[M+NH4]+ 422.14454 196.1
[M+K]+ 443.07388 202.1
[M-H]- 403.10344 194.9
[M+Na-2H]- 425.08539 195.2
[M]+ 404.11017 194.6
[M]- 404.11127 194.6
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.