CID 131753088

5-hydroxy-3,3',7,8-tetramethoxy-4',5'-methylenedioxyflavone

Structural Information

Molecular Formula
C20H18O9
SMILES
COC1=CC(=CC2=C1OCO2)C3=C(C(=O)C4=C(O3)C(=C(C=C4OC)OC)OC)O
InChI
InChI=1S/C20H18O9/c1-23-10-7-12(25-3)19(26-4)20-14(10)15(21)16(22)17(29-20)9-5-11(24-2)18-13(6-9)27-8-28-18/h5-7,22H,8H2,1-4H3
InChIKey
ADHJMNNFIWLSBG-UHFFFAOYSA-N
Compound name
3-hydroxy-5,7,8-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.0951 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.102376 188.8
[M+Na]+ 425.084318 200.0
[M-H]- 401.087824 199.9
[M+NH4]+ 420.128923 199.5
[M+K]+ 441.058258 202.1
[M+H-H2O]+ 385.092360 181.8
[M+HCOO]- 447.093301 206.9
[M+CH3COO]- 461.108951 223.6
[M+Na-2H]- 423.069766 192.8
[M]+ 402.09455142 202.3
[M]- 402.09564858 202.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.