CID 14332442

6'-hydroxy-2,3,4,5,2'-pentamethoxy-3',4'-methylenedioxychalcone

Structural Information

Molecular Formula
C21H22O9
SMILES
COC1=C(C(=C(C(=C1)/C=C/C(=O)C2=C(C3=C(C=C2O)OCO3)OC)OC)OC)OC
InChI
InChI=1S/C21H22O9/c1-24-14-8-11(17(25-2)21(28-5)18(14)26-3)6-7-12(22)16-13(23)9-15-19(20(16)27-4)30-10-29-15/h6-9,23H,10H2,1-5H3/b7-6+
InChIKey
OBPLDMNJOKPNQM-VOTSOKGWSA-N
Compound name
(E)-1-(6-hydroxy-4-methoxy-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

418.12637 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.133646 194.1
[M+Na]+ 441.115588 202.5
[M-H]- 417.119094 202.7
[M+NH4]+ 436.160193 204.2
[M+K]+ 457.089528 203.7
[M+H-H2O]+ 401.123630 186.9
[M+HCOO]- 463.124571 212.5
[M+CH3COO]- 477.140221 225.9
[M+Na-2H]- 439.101036 194.2
[M]+ 418.12582142 206.8
[M]- 418.12691858 206.8
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.