CID 42607654

3',4'-methylenedioxy-2,4,6,beta-tetramethoxychalcone

Structural Information

Molecular Formula
C20H20O7
SMILES
COC1=CC(=C(C(=C1)OC)/C(=C/C(=O)C2=CC3=C(C=C2)OCO3)/OC)OC
InChI
InChI=1S/C20H20O7/c1-22-13-8-17(23-2)20(18(9-13)24-3)19(25-4)10-14(21)12-5-6-15-16(7-12)27-11-26-15/h5-10H,11H2,1-4H3/b19-10-
InChIKey
ITIDHIOFTQUBBQ-GRSHGNNSSA-N
Compound name
(Z)-1-(1,3-benzodioxol-5-yl)-3-methoxy-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1209 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12818 185.3
[M+Na]+ 395.11012 192.5
[M-H]- 371.11362 194.5
[M+NH4]+ 390.15472 197.4
[M+K]+ 411.08406 193.3
[M+H-H2O]+ 355.11816 178.0
[M+HCOO]- 417.11910 204.5
[M+CH3COO]- 431.13475 217.3
[M+Na-2H]- 393.09557 186.5
[M]+ 372.12035 194.7
[M]- 372.12145 194.7
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.