CID 631791

3,5,6-trimethoxyfurano[2,3:7,8]flavone

Structural Information

Molecular Formula

C₂₀H₁₆O₆

SMILES

COC1=C2C(=C3C=COC3=C1OC)OC(=C(C2=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C20H16O6/c1-22-18-13-14(21)19(23-2)15(11-7-5-4-6-8-11)26-16(13)12-9-10-25-17(12)20(18)24-3/h4-10H,1-3H3

InChIKey

DESYRLMOSLWIGY-UHFFFAOYSA-N

Compound name

3,5,6-trimethoxy-2-phenylfuro[2,3-h]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 352.0947 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	353.101976	178.6
[M+Na]+	375.083918	191.3
[M-H]-	351.087424	190.5
[M+NH4]+	370.128523	193.4
[M+K]+	391.057858	190.4
[M+H-H2O]+	335.091960	171.1
[M+HCOO]-	397.092901	201.7
[M+CH3COO]-	411.108551	192.5
[M+Na-2H]-	373.069366	184.7
[M]+	352.09415142	190.7
[M]-	352.09524858	190.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.