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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.08690 170.1
[M+Na]+ 323.06884 175.4
[M-H]- 299.07234 173.7
[M+NH4]+ 318.11344 186.1
[M+K]+ 339.04278 169.5
[M+H-H2O]+ 283.07688 162.9
[M+HCOO]- 345.07782 180.6
[M+CH3COO]- 359.09347 201.5
[M+Na-2H]- 321.05429 169.4
[M]+ 300.07907 169.8
[M]- 300.08017 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.