CID 44257284

Lupinisoflavone c

Structural Information

Molecular Formula

C₂₀H₁₈O₆

SMILES

CC(C)(C1CC2=C(O1)C=CC(=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O

InChI

InChI=1S/C20H18O6/c1-20(2,24)17-6-11-5-10(3-4-15(11)26-17)13-9-25-16-8-12(21)7-14(22)18(16)19(13)23/h3-5,7-9,17,21-22,24H,6H2,1-2H3

InChIKey

ASFWAKDAUOGISP-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-3-[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 354.11035 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]+	355.117626	180.0
[M+Na]+	377.099568	189.7
[M-H]-	353.103074	187.4
[M+NH4]+	372.144173	192.6
[M+K]+	393.073508	187.5
[M+H-H2O]+	337.107610	174.4
[M+HCOO]-	399.108551	194.2
[M+CH3COO]-	413.124201	209.6
[M+Na-2H]-	375.085016	184.8
[M]+	354.10980142	183.9
[M]-	354.11089858	183.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.