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]+ 433.149306 198.3
[M+Na]+ 455.131248 206.8
[M-H]- 431.134754 208.1
[M+NH4]+ 450.175853 208.6
[M+K]+ 471.105188 208.5
[M+H-H2O]+ 415.139290 190.8
[M+HCOO]- 477.140231 217.9
[M+CH3COO]- 491.155881 230.9
[M+Na-2H]- 453.116696 198.3
[M]+ 432.14148142 213.1
[M]- 432.14257858 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.