CID 4868409

2-chloro-n-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]acetamide hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₈Cl₂N₂O

SMILES

C1CCN(C1)C(CNC(=O)CCl)C2=CC=CC=C2Cl

InChI

InChI=1S/C14H18Cl2N2O/c15-9-14(19)17-10-13(18-7-3-4-8-18)11-5-1-2-6-12(11)16/h1-2,5-6,13H,3-4,7-10H2,(H,17,19)

InChIKey

DUKNZWZOCCWAQU-UHFFFAOYSA-N

Compound name

2-chloro-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 300.07962 Da
Monoisotopic Mass: 2.8
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]+	301.086896	170.1
[M+Na]+	323.068838	175.4
[M-H]-	299.072344	173.7
[M+NH4]+	318.113443	186.1
[M+K]+	339.042778	169.5
[M+H-H2O]+	283.076880	162.9
[M+HCOO]-	345.077821	180.6
[M+CH3COO]-	359.093471	201.5
[M+Na-2H]-	321.054286	169.4
[M]+	300.07907142	169.8
[M]-	300.08016858	169.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.