CID 5709372

50990-40-4

Structural Information

Molecular Formula

C₁₇H₁₆O₂

SMILES

CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H16O2/c1-13-3-8-15(9-4-13)17(18)12-7-14-5-10-16(19-2)11-6-14/h3-12H,1-2H3/b12-7+

InChIKey

IFJLNOXFRRHOQD-KPKJPENVSA-N

Compound name

(E)-3-(4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 9
Patents: 252.11504 Da
Monoisotopic Mass: 3.4
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]+	253.12232	158.7
[M+Na]+	275.10426	173.7
[M+NH4]+	270.14886	167.1
[M+K]+	291.07820	165.3
[M-H]-	251.10776	163.2
[M+Na-2H]-	273.08971	167.8
[M]+	252.11449	162.2
[M]-	252.11559	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe