CID 93743

57632-71-0

Structural Information

Molecular Formula

C₁₆H₁₈N₂O₃

SMILES

C1CCN(C1)C(=O)C2CCC(=O)N2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H18N2O3/c19-14-9-8-13(16(21)17-10-4-5-11-17)18(14)15(20)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2

InChIKey

UAJWPUQWJOYSIT-UHFFFAOYSA-N

Compound name

1-benzoyl-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 286.13174 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]+	287.139016	167.4
[M+Na]+	309.120958	172.0
[M-H]-	285.124464	174.2
[M+NH4]+	304.165563	183.0
[M+K]+	325.094898	169.2
[M+H-H2O]+	269.129000	158.8
[M+HCOO]-	331.129941	184.9
[M+CH3COO]-	345.145591	197.1
[M+Na-2H]-	307.106406	163.7
[M]+	286.13119142	163.1
[M]-	286.13228858	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe