CID 1283969

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

Structural Information

Molecular Formula
C17H20Cl2N2O2
SMILES
C1CCC(CC1)N2C[C@H](CC2=O)C(=O)NC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C17H20Cl2N2O2/c18-12-7-13(19)9-14(8-12)20-17(23)11-6-16(22)21(10-11)15-4-2-1-3-5-15/h7-9,11,15H,1-6,10H2,(H,20,23)/t11-/m0/s1
InChIKey
YUFADRZDHJKVOT-NSHDSACASA-N
Compound name
(3S)-1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

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