CID 15382686

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

Structural Information

Molecular Formula
C21H22O9
SMILES
COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)OC
InChI
InChI=1S/C21H22O9/c1-24-12-7-10(8-13(25-2)18(12)27-4)17-21(29-6)16(23)15-11(22)9-14(26-3)19(28-5)20(15)30-17/h7-9,22H,1-6H3
InChIKey
YBWGYGWOYCKNFB-UHFFFAOYSA-N
Compound name
5-hydroxy-3,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.12637 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.13365 193.5
[M+Na]+ 441.11559 204.4
[M-H]- 417.11909 202.3
[M+NH4]+ 436.16019 203.6
[M+K]+ 457.08953 205.3
[M+H-H2O]+ 401.12363 184.1
[M+HCOO]- 463.12457 214.0
[M+CH3COO]- 477.14022 228.8
[M+Na-2H]- 439.10104 195.7
[M]+ 418.12582 208.2
[M]- 418.12692 208.2
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.