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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	273.159746	165.1
[M+Na]+	295.141688	168.9
[M-H]-	271.145194	170.8
[M+NH4]+	290.186293	179.4
[M+K]+	311.115628	165.1
[M+H-H2O]+	255.149730	155.4
[M+HCOO]-	317.150671	180.8
[M+CH3COO]-	331.166321	195.8
[M+Na-2H]-	293.127136	163.9
[M]+	272.15192142	158.3
[M]-	272.15301858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe