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]+ 419.13365 194.1
[M+Na]+ 441.11559 202.5
[M-H]- 417.11909 202.7
[M+NH4]+ 436.16019 204.2
[M+K]+ 457.08953 203.7
[M+H-H2O]+ 401.12363 186.9
[M+HCOO]- 463.12457 212.5
[M+CH3COO]- 477.14022 225.9
[M+Na-2H]- 439.10104 194.2
[M]+ 418.12582 206.8
[M]- 418.12692 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.