CID 571477

N-(3-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C17H15ClN2O2
SMILES
C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H15ClN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h1-8,10,12H,9,11H2,(H,19,22)
InChIKey
CMNQHDYAXMXRDF-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.0822 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08948 172.3
[M+Na]+ 337.07142 179.6
[M-H]- 313.07492 180.6
[M+NH4]+ 332.11602 187.4
[M+K]+ 353.04536 173.5
[M+H-H2O]+ 297.07946 163.8
[M+HCOO]- 359.08040 189.8
[M+CH3COO]- 373.09605 183.4
[M+Na-2H]- 335.05687 173.1
[M]+ 314.08165 171.8
[M]- 314.08275 171.8
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.