CID 14630600

5,3'-dihydroxy-2'-methoxy-6,7-methylenedioxyisoflavone

Structural Information

Molecular Formula

C₁₇H₁₂O₇

SMILES

COC1=C(C=CC=C1O)C2=COC3=CC4=C(C(=C3C2=O)O)OCO4

InChI

InChI=1S/C17H12O7/c1-21-16-8(3-2-4-10(16)18)9-6-22-11-5-12-17(24-7-23-12)15(20)13(11)14(9)19/h2-6,18,20H,7H2,1H3

InChIKey

OAYKQFMUHNRKTM-UHFFFAOYSA-N

Compound name

9-hydroxy-7-(3-hydroxy-2-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 328.0583 Da
Monoisotopic Mass: 2.8
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]+	329.065576	169.2
[M+Na]+	351.047518	180.5
[M-H]-	327.051024	178.9
[M+NH4]+	346.092123	182.1
[M+K]+	367.021458	180.4
[M+H-H2O]+	311.055560	163.1
[M+HCOO]-	373.056501	186.8
[M+CH3COO]-	387.072151	182.1
[M+Na-2H]-	349.032966	175.3
[M]+	328.05775142	176.5
[M]-	328.05884858	176.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.