CID 44260078

82668-96-0

Structural Information

Molecular Formula

C₂₀H₁₈O₁₀

SMILES

COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(C4=C(C(=C3O2)OC)OCO4)O)OC

InChI

InChI=1S/C20H18O10/c1-24-10-6-8(5-9(21)15(10)25-2)14-17(26-3)12(22)11-13(23)18-20(29-7-28-18)19(27-4)16(11)30-14/h5-6,21,23H,7H2,1-4H3

InChIKey

XCKSFSPZLWEYBW-UHFFFAOYSA-N

Compound name

9-hydroxy-6-(3-hydroxy-4,5-dimethoxyphenyl)-4,7-dimethoxy-[1,3]dioxolo[4,5-g]chromen-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 418.09 Da
Monoisotopic Mass: 2.9
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]+	419.097276	191.8
[M+Na]+	441.079218	202.8
[M-H]-	417.082724	201.9
[M+NH4]+	436.123823	201.2
[M+K]+	457.053158	205.2
[M+H-H2O]+	401.087260	184.9
[M+HCOO]-	463.088201	208.3
[M+CH3COO]-	477.103851	225.6
[M+Na-2H]-	439.064666	195.1
[M]+	418.08945142	205.4
[M]-	418.09054858	205.4

Literature stripe

literature stripe

Patent stripe

patents stripe