CID 265704

1603-44-7

Structural Information

Molecular Formula

C₁₇H₁₆O₆

SMILES

COC1=CC=C(C=C1)C2(C(C(=O)C3=CC=CC=C3O2)(O)O)OC

InChI

InChI=1S/C17H16O6/c1-21-12-9-7-11(8-10-12)17(22-2)16(19,20)15(18)13-5-3-4-6-14(13)23-17/h3-10,19-20H,1-2H3

InChIKey

MUWFMAGTDJWRSG-UHFFFAOYSA-N

Compound name

3,3-dihydroxy-2-methoxy-2-(4-methoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 316.0947 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]+	317.101976	169.0
[M+Na]+	339.083918	178.4
[M-H]-	315.087424	175.5
[M+NH4]+	334.128523	185.8
[M+K]+	355.057858	176.9
[M+H-H2O]+	299.091960	162.0
[M+HCOO]-	361.092901	186.5
[M+CH3COO]-	375.108551	200.8
[M+Na-2H]-	337.069366	176.6
[M]+	316.09415142	172.6
[M]-	316.09524858	172.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.