CID 175698

Propanamide, n-(2-chlorophenyl)-2,2-dimethyl-n-(3-pyridinylmethyl)-

Structural Information

Molecular Formula

C₁₇H₁₉ClN₂O

SMILES

CC(C)(C)C(=O)N(CC1=CN=CC=C1)C2=CC=CC=C2Cl

InChI

InChI=1S/C17H19ClN2O/c1-17(2,3)16(21)20(12-13-7-6-10-19-11-13)15-9-5-4-8-14(15)18/h4-11H,12H2,1-3H3

InChIKey

SIMWUAQMGNEHGG-UHFFFAOYSA-N

Compound name

N-(2-chlorophenyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 302.1186 Da
Monoisotopic Mass: 3.7
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]+	303.125876	170.7
[M+Na]+	325.107818	177.6
[M-H]-	301.111324	177.2
[M+NH4]+	320.152423	185.6
[M+K]+	341.081758	173.2
[M+H-H2O]+	285.115860	162.6
[M+HCOO]-	347.116801	187.6
[M+CH3COO]-	361.132451	207.8
[M+Na-2H]-	323.093266	175.3
[M]+	302.11805142	174.1
[M]-	302.11914858	174.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe