CID 9843255

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

Structural Information

Molecular Formula
C20H20O8
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3OC)OC)O)OC)OC
InChI
InChI=1S/C20H20O8/c1-23-12-7-6-10(8-13(12)24-2)17-20(27-5)16(22)15-14(28-17)9-11(21)18(25-3)19(15)26-4/h6-9,21H,1-5H3
InChIKey
DFMQEEUDLFLPFL-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-7-hydroxy-3,5,6-trimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

388.1158 Da
Monoisotopic Mass

2.9
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