CID 14162686

7-hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone

Structural Information

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

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.10238 188.8
[M+Na]+ 425.08432 200.0
[M-H]- 401.08782 199.9
[M+NH4]+ 420.12892 199.5
[M+K]+ 441.05826 202.1
[M+H-H2O]+ 385.09236 181.8
[M+HCOO]- 447.09330 206.9
[M+CH3COO]- 461.10895 223.6
[M+Na-2H]- 423.06977 192.8
[M]+ 402.09455 202.3
[M]- 402.09565 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.