CID 44257866

Dinklagin c

Structural Information

Molecular Formula

C₂₀H₁₈O₆

SMILES

CC(=C)C(CC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O)O

InChI

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

InChIKey

PDONMPUBRSPUSC-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-6-(2-hydroxy-3-methylbut-3-enyl)-2-(4-hydroxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 354.11035 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]+	355.117626	181.0
[M+Na]+	377.099568	189.2
[M-H]-	353.103074	185.1
[M+NH4]+	372.144173	191.1
[M+K]+	393.073508	185.6
[M+H-H2O]+	337.107610	173.6
[M+HCOO]-	399.108551	195.3
[M+CH3COO]-	413.124201	209.8
[M+Na-2H]-	375.085016	181.6
[M]+	354.10980142	182.7
[M]-	354.11089858	182.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.