CID 21580516

5,6,2',3',6'-pentamethoxyflavone

Structural Information

Molecular Formula

C₂₀H₂₀O₇

SMILES

COC1=C(C(=C(C=C1)OC)OC)C2=CC(=O)C3=C(O2)C=CC(=C3OC)OC

InChI

InChI=1S/C20H20O7/c1-22-12-6-8-15(24-3)20(26-5)18(12)16-10-11(21)17-13(27-16)7-9-14(23-2)19(17)25-4/h6-10H,1-5H3

InChIKey

KHAJXTXUCWNYAU-UHFFFAOYSA-N

Compound name

5,6-dimethoxy-2-(2,3,6-trimethoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 372.1209 Da
Monoisotopic Mass: 3.0
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]+	373.128176	183.8
[M+Na]+	395.110118	194.7
[M-H]-	371.113624	193.5
[M+NH4]+	390.154723	196.3
[M+K]+	411.084058	194.5
[M+H-H2O]+	355.118160	174.6
[M+HCOO]-	417.119101	206.1
[M+CH3COO]-	431.134751	220.5
[M+Na-2H]-	393.095566	187.9
[M]+	372.12035142	196.3
[M]-	372.12144858	196.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.