CID 217801

1-benzyl-4-(piperidine-1-carbonyl)pyrrolidin-2-one

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]+ 287.175396 169.5
[M+Na]+ 309.157338 172.8
[M-H]- 285.160844 175.1
[M+NH4]+ 304.201943 183.2
[M+K]+ 325.131278 168.9
[M+H-H2O]+ 269.165380 159.6
[M+HCOO]- 331.166321 184.9
[M+CH3COO]- 345.181971 198.8
[M+Na-2H]- 307.142786 167.8
[M]+ 286.16757142 163.1
[M]- 286.16866858 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.