CID 3039076

N-(1-(3,4-dichlorophenyl)propyl)-1-pyrrolidineacetamide

Structural Information

Molecular Formula
C15H20Cl2N2O
SMILES
CCC(C1=CC(=C(C=C1)Cl)Cl)NC(=O)CN2CCCC2
InChI
InChI=1S/C15H20Cl2N2O/c1-2-14(11-5-6-12(16)13(17)9-11)18-15(20)10-19-7-3-4-8-19/h5-6,9,14H,2-4,7-8,10H2,1H3,(H,18,20)
InChIKey
SEFXAHDKSFHGJH-UHFFFAOYSA-N
Compound name
N-[1-(3,4-dichlorophenyl)propyl]-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.09528 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10256 174.5
[M+Na]+ 337.08450 180.4
[M-H]- 313.08800 178.4
[M+NH4]+ 332.12910 190.3
[M+K]+ 353.05844 174.3
[M+H-H2O]+ 297.09254 167.5
[M+HCOO]- 359.09348 184.8
[M+CH3COO]- 373.10913 205.6
[M+Na-2H]- 335.06995 172.7
[M]+ 314.09473 175.0
[M]- 314.09583 175.0
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.