CID 14332443

2,3,4,5,2',6'-hexamethoxy-3',4'-methylenedioxychalcone

Structural Information

Molecular Formula
C22H24O9
SMILES
COC1=C(C(=C(C(=C1)/C=C/C(=O)C2=C(C=C3C(=C2OC)OCO3)OC)OC)OC)OC
InChI
InChI=1S/C22H24O9/c1-24-14-10-16-20(31-11-30-16)21(28-5)17(14)13(23)8-7-12-9-15(25-2)19(27-4)22(29-6)18(12)26-3/h7-10H,11H2,1-6H3/b8-7+
InChIKey
QSWHICAMOUHPJP-BQYQJAHWSA-N
Compound name
(E)-1-(4,6-dimethoxy-1,3-benzodioxol-5-yl)-3-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.14203 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.14931 198.3
[M+Na]+ 455.13125 206.8
[M-H]- 431.13475 208.1
[M+NH4]+ 450.17585 208.6
[M+K]+ 471.10519 208.5
[M+H-H2O]+ 415.13929 190.8
[M+HCOO]- 477.14023 217.9
[M+CH3COO]- 491.15588 230.9
[M+Na-2H]- 453.11670 198.3
[M]+ 432.14148 213.1
[M]- 432.14258 213.1
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

No patent data available for this compound.