CID 5346110

(2e)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one

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 163.2
[M+Na]+ 289.11990 178.0
[M+NH4]+ 284.16450 171.5
[M+K]+ 305.09384 169.4
[M-H]- 265.12340 167.7
[M+Na-2H]- 287.10535 172.1
[M]+ 266.13013 166.7
[M]- 266.13123 166.7
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.