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]+ 295.12078 169.4
[M+Na]+ 317.10272 176.2
[M-H]- 293.10622 174.3
[M+NH4]+ 312.14732 185.8
[M+K]+ 333.07666 171.0
[M+H-H2O]+ 277.11076 162.0
[M+HCOO]- 339.11170 186.2
[M+CH3COO]- 353.12735 202.9
[M+Na-2H]- 315.08817 168.9
[M]+ 294.11295 170.4
[M]- 294.11405 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.