CID 5352007

3,4,2',4',6'-pentamethoxychalcone

Structural Information

Molecular Formula
C20H22O6
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)OC)OC
InChI
InChI=1S/C20H22O6/c1-22-14-11-18(25-4)20(19(12-14)26-5)15(21)8-6-13-7-9-16(23-2)17(10-13)24-3/h6-12H,1-5H3/b8-6+
InChIKey
TVKGYMYAOVADOP-SOFGYWHQSA-N
Compound name
(E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

358.14163 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.148906 181.7
[M+Na]+ 381.130848 189.9
[M-H]- 357.134354 189.0
[M+NH4]+ 376.175453 194.9
[M+K]+ 397.104788 188.1
[M+H-H2O]+ 341.138890 173.1
[M+HCOO]- 403.139831 204.6
[M+CH3COO]- 417.155481 217.0
[M+Na-2H]- 379.116296 182.2
[M]+ 358.14108142 191.4
[M]- 358.14217858 191.4
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

patents stripe