CID 5712116

79140-20-8

Structural Information

Molecular Formula
C17H16O4
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O)OC
InChI
InChI=1S/C17H16O4/c1-20-16-10-8-12(11-17(16)21-2)7-9-15(19)13-5-3-4-6-14(13)18/h3-11,18H,1-2H3/b9-7+
InChIKey
MFLSRHQHCDTOGH-VQHVLOKHSA-N
Compound name
(E)-3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

31
Patents

284.10486 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11214 163.9
[M+Na]+ 307.09408 171.6
[M-H]- 283.09758 169.7
[M+NH4]+ 302.13868 179.1
[M+K]+ 323.06802 168.0
[M+H-H2O]+ 267.10212 156.4
[M+HCOO]- 329.10306 186.0
[M+CH3COO]- 343.11871 198.8
[M+Na-2H]- 305.07953 166.7
[M]+ 284.10431 167.0
[M]- 284.10541 167.0
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