CID 11079623

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

Structural Information

Molecular Formula
C20H20O8
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC
InChI
InChI=1S/C20H20O8/c1-23-11-8-6-10(7-9-11)15-17(24-2)13(21)12-14(22)18(25-3)20(27-5)19(26-4)16(12)28-15/h6-9,22H,1-5H3
InChIKey
KBYYZSYVUWCARH-UHFFFAOYSA-N
Compound name
5-hydroxy-3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

13
Patents

388.1158 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.123076 186.6
[M+Na]+ 411.105018 197.6
[M-H]- 387.108524 195.3
[M+NH4]+ 406.149623 197.9
[M+K]+ 427.078958 197.6
[M+H-H2O]+ 371.113060 177.5
[M+HCOO]- 433.114001 207.4
[M+CH3COO]- 447.129651 222.1
[M+Na-2H]- 409.090466 189.8
[M]+ 388.11525142 199.2
[M]- 388.11634858 199.2
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

patents stripe