CID 5953849

2',4'-dihydroxy-3,4-dimethoxychalcone

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O)OC
InChI
InChI=1S/C17H16O5/c1-21-16-8-4-11(9-17(16)22-2)3-7-14(19)13-6-5-12(18)10-15(13)20/h3-10,18,20H,1-2H3/b7-3+
InChIKey
ZMMIEHPFMMRMMN-XVNBXDOJSA-N
Compound name
(E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

69
Patents

300.09976 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 168.6
[M+Na]+ 323.08898 181.7
[M+NH4]+ 318.13358 174.5
[M+K]+ 339.06292 176.0
[M-H]- 299.09248 170.6
[M+Na-2H]- 321.07443 174.6
[M]+ 300.09921 170.9
[M]- 300.10031 170.9
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