CID 103571

51959-90-1

Structural Information

Molecular Formula

C₁₆H₁₈N₂O₄

SMILES

C1CC(=O)N(C1C(=O)N2CCOCC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H18N2O4/c19-14-7-6-13(16(21)17-8-10-22-11-9-17)18(14)15(20)12-4-2-1-3-5-12/h1-5,13H,6-11H2

InChIKey

RUYWHIXOSWODCC-UHFFFAOYSA-N

Compound name

1-benzoyl-5-(morpholine-4-carbonyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 302.12665 Da
Monoisotopic Mass: 0.4
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]+	303.133926	169.5
[M+Na]+	325.115868	173.3
[M-H]-	301.119374	176.1
[M+NH4]+	320.160473	181.0
[M+K]+	341.089808	171.7
[M+H-H2O]+	285.123910	160.1
[M+HCOO]-	347.124851	183.9
[M+CH3COO]-	361.140501	199.9
[M+Na-2H]-	323.101316	168.2
[M]+	302.12610142	164.9
[M]-	302.12719858	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe