CID 5354494

3,4-dimethoxychalcone

Structural Information

Molecular Formula
C17H16O3
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2)OC
InChI
InChI=1S/C17H16O3/c1-19-16-11-9-13(12-17(16)20-2)8-10-15(18)14-6-4-3-5-7-14/h3-12H,1-2H3/b10-8+
InChIKey
LSHZPTCZLWATBZ-CSKARUKUSA-N
Compound name
(E)-3-(3,4-dimethoxyphenyl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

52
Patents

268.10995 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11723 161.8
[M+Na]+ 291.09917 176.3
[M+NH4]+ 286.14377 169.7
[M+K]+ 307.07311 168.4
[M-H]- 267.10267 165.8
[M+Na-2H]- 289.08462 170.5
[M]+ 268.10940 165.1
[M]- 268.11050 165.1
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