CID 25059037

5,4'-dihydroxy-3,7,3'-trimethoxy-6,8-dimethylflavone

Structural Information

Molecular Formula
C20H20O7
SMILES
CC1=C(C2=C(C(=C1OC)C)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)OC)O
InChI
InChI=1S/C20H20O7/c1-9-15(22)14-16(23)20(26-5)19(27-18(14)10(2)17(9)25-4)11-6-7-12(21)13(8-11)24-3/h6-8,21-22H,1-5H3
InChIKey
BTLJJJSGZVZCGB-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-6,8-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.1209 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.128176 184.6
[M+Na]+ 395.110118 196.3
[M-H]- 371.113624 192.4
[M+NH4]+ 390.154723 196.4
[M+K]+ 411.084058 194.9
[M+H-H2O]+ 355.118160 176.4
[M+HCOO]- 417.119101 203.8
[M+CH3COO]- 431.134751 219.1
[M+Na-2H]- 393.095566 186.5
[M]+ 372.12035142 194.5
[M]- 372.12144858 194.5
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.