CID 44257869

Dinklagin b

Structural Information

Molecular Formula

C₂₀H₁₈O₆

SMILES

CC1(C(CC2=C(O1)C=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)O)C

InChI

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

InChIKey

FJVQQAWOOLFVQM-UHFFFAOYSA-N

Compound name

3,5-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
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	181.4
[M+Na]+	377.099568	192.0
[M-H]-	353.103074	188.7
[M+NH4]+	372.144173	194.2
[M+K]+	393.073508	189.8
[M+H-H2O]+	337.107610	173.4
[M+HCOO]-	399.108551	194.8
[M+CH3COO]-	413.124201	192.3
[M+Na-2H]-	375.085016	187.0
[M]+	354.10980142	184.4
[M]-	354.11089858	184.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.