CID 338491

Nepseudin

Structural Information

Molecular Formula

C₂₀H₁₈O₆

SMILES

COC1=C(C(=C(C=C1)C2COC3=C(C2=O)C=C4C=COC4=C3)OC)OC

InChI

InChI=1S/C20H18O6/c1-22-15-5-4-12(19(23-2)20(15)24-3)14-10-26-17-9-16-11(6-7-25-16)8-13(17)18(14)21/h4-9,14H,10H2,1-3H3

InChIKey

PWEWBHDLPRFGPA-UHFFFAOYSA-N

Compound name

6-(2,3,4-trimethoxyphenyl)-6,7-dihydrofuro[3,2-g]chromen-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 354.11035 Da
Monoisotopic Mass: 3.4
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	179.3
[M+Na]+	377.099568	190.1
[M-H]-	353.103074	190.4
[M+NH4]+	372.144173	193.9
[M+K]+	393.073508	189.4
[M+H-H2O]+	337.107610	172.0
[M+HCOO]-	399.108551	199.7
[M+CH3COO]-	413.124201	192.3
[M+Na-2H]-	375.085016	183.8
[M]+	354.10980142	188.7
[M]-	354.11089858	188.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.