CID 5708333

178445-80-2

Structural Information

Molecular Formula
C17H16O4
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=CC=C2)O)OC
InChI
InChI=1S/C17H16O4/c1-20-16-9-7-12(10-17(16)21-2)6-8-15(19)13-4-3-5-14(18)11-13/h3-11,18H,1-2H3/b8-6+
InChIKey
INUGQAHOPUVTAQ-SOFGYWHQSA-N
Compound name
(E)-3-(3,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

35
Patents

284.10486 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11214 165.2
[M+Na]+ 307.09408 179.0
[M+NH4]+ 302.13868 172.1
[M+K]+ 323.06802 172.2
[M-H]- 283.09758 168.2
[M+Na-2H]- 305.07953 172.5
[M]+ 284.10431 168.0
[M]- 284.10541 168.0
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