CID 185670

29043-07-0

Structural Information

Molecular Formula

C₂₁H₂₂O₈

SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC

InChI

InChI=1S/C21H22O8/c1-23-15-7-11(8-16(24-2)19(15)26-4)13-9-12(22)18-14(29-13)10-17(25-3)20(27-5)21(18)28-6/h7-10H,1-6H3

InChIKey

DYDFNKUHYXHWFM-UHFFFAOYSA-N

Compound name

5,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 37
Patents: 402.13147 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]+	403.138746	190.8
[M+Na]+	425.120688	201.8
[M-H]-	401.124194	200.7
[M+NH4]+	420.165293	202.2
[M+K]+	441.094628	202.4
[M+H-H2O]+	385.128730	181.3
[M+HCOO]-	447.129671	212.8
[M+CH3COO]-	461.145321	227.1
[M+Na-2H]-	423.106136	193.9
[M]+	402.13092142	205.5
[M]-	402.13201858	205.5

Literature stripe

literature stripe

Patent stripe

patents stripe