CID 44259864

3,5,6-trimethoxy-3',4'-methylene-dioxyfurano[2,3:7,8]flavone

Structural Information

Molecular Formula
C21H16O8
SMILES
COC1=C2C(=C3C=COC3=C1OC)OC(=C(C2=O)OC)C4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C21H16O8/c1-23-19-14-15(22)20(24-2)16(10-4-5-12-13(8-10)28-9-27-12)29-17(14)11-6-7-26-18(11)21(19)25-3/h4-8H,9H2,1-3H3
InChIKey
AVRDKCAQWAUXJA-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-3,5,6-trimethoxyfuro[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.0845 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.09178 186.5
[M+Na]+ 419.07372 199.4
[M-H]- 395.07722 200.9
[M+NH4]+ 414.11832 199.5
[M+K]+ 435.04766 201.5
[M+H-H2O]+ 379.08176 181.8
[M+HCOO]- 441.08270 206.4
[M+CH3COO]- 455.09835 200.3
[M+Na-2H]- 417.05917 191.4
[M]+ 396.08395 201.5
[M]- 396.08505 201.5
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.