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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.137956	162.2
[M+Na]+	289.119898	169.3
[M-H]-	265.123404	168.8
[M+NH4]+	284.164503	178.7
[M+K]+	305.093838	164.9
[M+H-H2O]+	249.127940	154.5
[M+HCOO]-	311.128881	185.1
[M+CH3COO]-	325.144531	198.9
[M+Na-2H]-	287.105346	165.5
[M]+	266.13013142	164.2
[M]-	266.13122858	164.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.