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

1
Patents

418.09 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.09728 191.8
[M+Na]+ 441.07922 202.8
[M-H]- 417.08272 201.9
[M+NH4]+ 436.12382 201.2
[M+K]+ 457.05316 205.2
[M+H-H2O]+ 401.08726 184.9
[M+HCOO]- 463.08820 208.3
[M+CH3COO]- 477.10385 225.6
[M+Na-2H]- 439.06467 195.1
[M]+ 418.08945 205.4
[M]- 418.09055 205.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe