CID 5385091

Maxima isoflavone g

Structural Information

Molecular Formula

C₁₇H₁₂O₆

SMILES

COC1=CC2=C(C=C1C3=COC4=C(C3=O)C=CC(=C4)O)OCO2

InChI

InChI=1S/C17H12O6/c1-20-13-6-16-15(22-8-23-16)5-11(13)12-7-21-14-4-9(18)2-3-10(14)17(12)19/h2-7,18H,8H2,1H3

InChIKey

BHIIMRBCELSOFD-UHFFFAOYSA-N

Compound name

7-hydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 41
Patents: 312.0634 Da
Monoisotopic Mass: 2.6
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]+	313.07068	165.9
[M+Na]+	335.05262	177.0
[M-H]-	311.05612	176.5
[M+NH4]+	330.09722	180.0
[M+K]+	351.02656	176.9
[M+H-H2O]+	295.06066	159.6
[M+HCOO]-	357.06160	184.9
[M+CH3COO]-	371.07725	179.3
[M+Na-2H]-	333.03807	172.8
[M]+	312.06285	172.9
[M]-	312.06395	172.9

Literature stripe

literature stripe

Patent stripe

patents stripe