CID 534606

1-cyclohexyl-n-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C17H20Cl2N2O2
SMILES
C1CCC(CC1)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C17H20Cl2N2O2/c18-12-6-7-14(19)15(9-12)20-17(23)11-8-16(22)21(10-11)13-4-2-1-3-5-13/h6-7,9,11,13H,1-5,8,10H2,(H,20,23)
InChIKey
XUOJSIAVVYTAGN-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.09018 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.09746 184.1
[M+Na]+ 377.07940 189.6
[M-H]- 353.08290 190.7
[M+NH4]+ 372.12400 198.0
[M+K]+ 393.05334 182.9
[M+H-H2O]+ 337.08744 176.2
[M+HCOO]- 399.08838 192.0
[M+CH3COO]- 413.10403 211.3
[M+Na-2H]- 375.06485 180.3
[M]+ 354.08963 180.9
[M]- 354.09073 180.9
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.