CID 265716

1808-01-1

Structural Information

Molecular Formula

C₁₈H₁₈O₇

SMILES

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

InChI

InChI=1S/C18H18O7/c1-22-12-6-4-11(5-7-12)18(24-3)17(20,21)16(19)14-9-8-13(23-2)10-15(14)25-18/h4-10,20-21H,1-3H3

InChIKey

PDMJKRSNXGRGBG-UHFFFAOYSA-N

Compound name

3,3-dihydroxy-2,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 346.10526 Da
Monoisotopic Mass: 1.3
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]+	347.112536	175.4
[M+Na]+	369.094478	184.9
[M-H]-	345.097984	182.0
[M+NH4]+	364.139083	191.2
[M+K]+	385.068418	184.2
[M+H-H2O]+	329.102520	168.3
[M+HCOO]-	391.103461	192.7
[M+CH3COO]-	405.119111	207.4
[M+Na-2H]-	367.079926	182.2
[M]+	346.10471142	181.2
[M]-	346.10580858	181.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.