CID 217802

39630-15-4

Structural Information

Molecular Formula
C16H19ClN2O2
SMILES
C1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H19ClN2O2/c17-13-4-6-14(7-5-13)19-11-12(10-15(19)20)16(21)18-8-2-1-3-9-18/h4-7,12H,1-3,8-11H2
InChIKey
HKNNSBCXSIJKOJ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1135 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12078 172.5
[M+Na]+ 329.10272 178.0
[M-H]- 305.10622 178.4
[M+NH4]+ 324.14732 186.6
[M+K]+ 345.07666 172.6
[M+H-H2O]+ 289.11076 163.2
[M+HCOO]- 351.11170 183.5
[M+CH3COO]- 365.12735 182.0
[M+Na-2H]- 327.08817 170.0
[M]+ 306.11295 168.2
[M]- 306.11405 168.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.