CID 217139

38160-15-5

Structural Information

Molecular Formula

C₁₅H₁₉N₃O₂

SMILES

C1CN(CCN1)C(=O)C2CC(=O)N(C2)C3=CC=CC=C3

InChI

InChI=1S/C15H19N3O2/c19-14-10-12(15(20)17-8-6-16-7-9-17)11-18(14)13-4-2-1-3-5-13/h1-5,12,16H,6-11H2

InChIKey

PBMYDGKWBMRMIV-UHFFFAOYSA-N

Compound name

1-phenyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 273.14774 Da
Monoisotopic Mass: -0.2
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]+	274.155016	165.5
[M+Na]+	296.136958	169.3
[M-H]-	272.140464	168.7
[M+NH4]+	291.181563	177.6
[M+K]+	312.110898	164.8
[M+H-H2O]+	256.145000	155.3
[M+HCOO]-	318.145941	178.7
[M+CH3COO]-	332.161591	174.1
[M+Na-2H]-	294.122406	164.4
[M]+	273.14719142	157.1
[M]-	273.14828858	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe