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]+ 315.102556 174.5
[M+Na]+ 337.084498 180.4
[M-H]- 313.088004 178.4
[M+NH4]+ 332.129103 190.3
[M+K]+ 353.058438 174.3
[M+H-H2O]+ 297.092540 167.5
[M+HCOO]- 359.093481 184.8
[M+CH3COO]- 373.109131 205.6
[M+Na-2H]- 335.069946 172.7
[M]+ 314.09473142 175.0
[M]- 314.09582858 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.