CID 217789

39630-00-7

Structural Information

Molecular Formula
C16H20N2O2
SMILES
C1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=CC=C3
InChI
InChI=1S/C16H20N2O2/c19-15-11-13(16(20)17-9-5-2-6-10-17)12-18(15)14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-12H2
InChIKey
ZSZFCRWSBVMRIC-UHFFFAOYSA-N
Compound name
1-phenyl-4-(piperidine-1-carbonyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

272.15247 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 165.1
[M+Na]+ 295.14169 168.9
[M-H]- 271.14519 170.8
[M+NH4]+ 290.18629 179.4
[M+K]+ 311.11563 165.1
[M+H-H2O]+ 255.14973 155.4
[M+HCOO]- 317.15067 180.8
[M+CH3COO]- 331.16632 195.8
[M+Na-2H]- 293.12714 163.9
[M]+ 272.15192 158.3
[M]- 272.15302 158.3
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

patents stripe