CID 5346110

39059-95-5

Structural Information

Molecular Formula
C18H18O2
SMILES
CCOC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C18H18O2/c1-3-20-17-11-6-15(7-12-17)8-13-18(19)16-9-4-14(2)5-10-16/h4-13H,3H2,1-2H3/b13-8+
InChIKey
VBJALZMAELXFMU-MDWZMJQESA-N
Compound name
(E)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.13068 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13796 162.2
[M+Na]+ 289.11990 169.3
[M-H]- 265.12340 168.8
[M+NH4]+ 284.16450 178.7
[M+K]+ 305.09384 164.9
[M+H-H2O]+ 249.12794 154.5
[M+HCOO]- 311.12888 185.1
[M+CH3COO]- 325.14453 198.9
[M+Na-2H]- 287.10535 165.5
[M]+ 266.13013 164.2
[M]- 266.13123 164.2
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

No patent data available for this compound.