CID 6366723

2',5'-dimethoxy-3,4-dihydroxychalcone

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=CC(=C(C=C1)OC)C(=O)/C=C/C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C17H16O5/c1-21-12-5-8-17(22-2)13(10-12)14(18)6-3-11-4-7-15(19)16(20)9-11/h3-10,19-20H,1-2H3/b6-3+
InChIKey
FFUVITXFNNXCPG-ZZXKWVIFSA-N
Compound name
(E)-3-(3,4-dihydroxyphenyl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

300.09976 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 166.8
[M+Na]+ 323.08898 174.8
[M-H]- 299.09248 171.5
[M+NH4]+ 318.13358 180.8
[M+K]+ 339.06292 171.1
[M+H-H2O]+ 283.09702 159.5
[M+HCOO]- 345.09796 187.6
[M+CH3COO]- 359.11361 199.9
[M+Na-2H]- 321.07443 168.5
[M]+ 300.09921 169.9
[M]- 300.10031 169.9
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