CID 44259522

3,5,7,2',4',5'-hexamethoxyflavone

Structural Information

Molecular Formula
C21H22O8
SMILES
COC1=CC2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC(=C(C=C3OC)OC)OC)OC
InChI
InChI=1S/C21H22O8/c1-23-11-7-16(27-5)18-17(8-11)29-20(21(28-6)19(18)22)12-9-14(25-3)15(26-4)10-13(12)24-2/h7-10H,1-6H3
InChIKey
HWMGTYHXLRBKSP-UHFFFAOYSA-N
Compound name
3,5,7-trimethoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.13147 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.13875 190.8
[M+Na]+ 425.12069 201.8
[M-H]- 401.12419 200.7
[M+NH4]+ 420.16529 202.2
[M+K]+ 441.09463 202.4
[M+H-H2O]+ 385.12873 181.3
[M+HCOO]- 447.12967 212.8
[M+CH3COO]- 461.14532 227.1
[M+Na-2H]- 423.10614 193.9
[M]+ 402.13092 205.5
[M]- 402.13202 205.5
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.