CID 5717021

32111-71-0

Structural Information

Molecular Formula
C17H16O2
SMILES
CCOC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H16O2/c1-2-19-16-11-8-14(9-12-16)10-13-17(18)15-6-4-3-5-7-15/h3-13H,2H2,1H3/b13-10+
InChIKey
ABJALCOAMMGTJD-JLHYYAGUSA-N
Compound name
(E)-3-(4-ethoxyphenyl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

252.11504 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12232 158.2
[M+Na]+ 275.10426 164.8
[M-H]- 251.10776 164.6
[M+NH4]+ 270.14886 174.9
[M+K]+ 291.07820 160.6
[M+H-H2O]+ 235.11230 150.5
[M+HCOO]- 297.11324 181.5
[M+CH3COO]- 311.12889 194.7
[M+Na-2H]- 273.08971 162.7
[M]+ 252.11449 159.5
[M]- 252.11559 159.5
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