CID 75409828

2,6-dichloro-n-methyl-n-(4-methylphenyl)-3-oxohexanamide

Structural Information

Molecular Formula

C₁₄H₁₇Cl₂NO₂

SMILES

CC1=CC=C(C=C1)N(C)C(=O)C(C(=O)CCCCl)Cl

InChI

InChI=1S/C14H17Cl2NO2/c1-10-5-7-11(8-6-10)17(2)14(19)13(16)12(18)4-3-9-15/h5-8,13H,3-4,9H2,1-2H3

InChIKey

UJPCJBOIIGZNJR-UHFFFAOYSA-N

Compound name

2,6-dichloro-N-methyl-N-(4-methylphenyl)-3-oxohexanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 301.06363 Da
Monoisotopic Mass: 3.1
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]+	302.070906	165.8
[M+Na]+	324.052848	172.5
[M-H]-	300.056354	169.9
[M+NH4]+	319.097453	182.6
[M+K]+	340.026788	168.4
[M+H-H2O]+	284.060890	160.9
[M+HCOO]-	346.061831	178.8
[M+CH3COO]-	360.077481	208.0
[M+Na-2H]-	322.038296	165.6
[M]+	301.06308142	171.5
[M]-	301.06417858	171.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.