CID 3328631

2-chloro-n-methyl-2-phenyl-o-acetotoluidide

Structural Information

Molecular Formula

C₁₆H₁₆ClNO

SMILES

CC1=CC=CC=C1N(C)C(=O)C(C2=CC=CC=C2)Cl

InChI

InChI=1S/C16H16ClNO/c1-12-8-6-7-11-14(12)18(2)16(19)15(17)13-9-4-3-5-10-13/h3-11,15H,1-2H3

InChIKey

KETNFRHXQNZVNO-UHFFFAOYSA-N

Compound name

2-chloro-N-methyl-N-(2-methylphenyl)-2-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.09204 Da
Monoisotopic Mass: 4.0
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]+	274.099316	162.0
[M+Na]+	296.081258	168.6
[M-H]-	272.084764	169.8
[M+NH4]+	291.125863	179.1
[M+K]+	312.055198	164.6
[M+H-H2O]+	256.089300	154.9
[M+HCOO]-	318.090241	181.2
[M+CH3COO]-	332.105891	203.4
[M+Na-2H]-	294.066706	165.0
[M]+	273.09149142	164.5
[M]-	273.09258858	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.