CID 217801

39630-14-3

Structural Information

Molecular Formula
C17H22N2O2
SMILES
C1CCN(CC1)C(=O)C2CC(=O)N(C2)CC3=CC=CC=C3
InChI
InChI=1S/C17H22N2O2/c20-16-11-15(17(21)18-9-5-2-6-10-18)13-19(16)12-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2
InChIKey
FOQITOYKZKWYJA-UHFFFAOYSA-N
Compound name
1-benzyl-4-(piperidine-1-carbonyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.16812 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 169.5
[M+Na]+ 309.15734 172.8
[M-H]- 285.16084 175.1
[M+NH4]+ 304.20194 183.2
[M+K]+ 325.13128 168.9
[M+H-H2O]+ 269.16538 159.6
[M+HCOO]- 331.16632 184.9
[M+CH3COO]- 345.18197 198.8
[M+Na-2H]- 307.14279 167.8
[M]+ 286.16757 163.1
[M]- 286.16867 163.1
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.