CID 2060430

477320-25-5

Structural Information

Molecular Formula

C₁₇H₁₈ClNO

SMILES

CCC1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H18ClNO/c1-2-13-3-9-16(10-4-13)19-12-11-17(20)14-5-7-15(18)8-6-14/h3-10,19H,2,11-12H2,1H3

InChIKey

WEQSKGVQKRPOPD-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-3-(4-ethylanilino)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 287.1077 Da
Monoisotopic Mass: 5.2
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]+	288.114976	166.8
[M+Na]+	310.096918	173.9
[M-H]-	286.100424	173.0
[M+NH4]+	305.141523	182.9
[M+K]+	326.070858	167.7
[M+H-H2O]+	270.104960	159.6
[M+HCOO]-	332.105901	186.0
[M+CH3COO]-	346.121551	203.9
[M+Na-2H]-	308.082366	170.3
[M]+	287.10715142	169.3
[M]-	287.10824858	169.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.