CID 2947665

N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C20H21ClN2O3
SMILES
CCCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H21ClN2O3/c1-2-10-26-18-8-6-17(7-9-18)23-13-14(11-19(23)24)20(25)22-16-5-3-4-15(21)12-16/h3-9,12,14H,2,10-11,13H2,1H3,(H,22,25)
InChIKey
ILSHXVJYCAQVIX-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.12408 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.13136 188.5
[M+Na]+ 395.11330 195.1
[M-H]- 371.11680 196.6
[M+NH4]+ 390.15790 201.3
[M+K]+ 411.08724 189.1
[M+H-H2O]+ 355.12134 179.5
[M+HCOO]- 417.12228 205.1
[M+CH3COO]- 431.13793 217.0
[M+Na-2H]- 393.09875 187.1
[M]+ 372.12353 190.7
[M]- 372.12463 190.7
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.