CID 2914721

N-butyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C15H19ClN2O2
SMILES
CCCCNC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H19ClN2O2/c1-2-3-8-17-15(20)11-9-14(19)18(10-11)13-6-4-12(16)5-7-13/h4-7,11H,2-3,8-10H2,1H3,(H,17,20)
InChIKey
FJXQWZKSZGDTDP-UHFFFAOYSA-N
Compound name
N-butyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

294.1135 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.120776 169.4
[M+Na]+ 317.102718 176.2
[M-H]- 293.106224 174.3
[M+NH4]+ 312.147323 185.8
[M+K]+ 333.076658 171.0
[M+H-H2O]+ 277.110760 162.0
[M+HCOO]- 339.111701 186.2
[M+CH3COO]- 353.127351 202.9
[M+Na-2H]- 315.088166 168.9
[M]+ 294.11295142 170.4
[M]- 294.11404858 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.