CID 47404

64505-33-5

Structural Information

Molecular Formula

C₁₄H₁₅NO₄

SMILES

CCOC(=O)CN1C(=O)CC(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C14H15NO4/c1-2-19-13(17)9-15-12(16)8-11(14(15)18)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3

InChIKey

LQPWQTIFRJRHIE-UHFFFAOYSA-N

Compound name

ethyl 2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 261.1001 Da
Monoisotopic Mass: 1.1
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]+	262.10738	159.4
[M+Na]+	284.08932	170.2
[M+NH4]+	279.13392	165.5
[M+K]+	300.06326	166.7
[M-H]-	260.09282	160.5
[M+Na-2H]-	282.07477	163.7
[M]+	261.09955	160.9
[M]-	261.10065	160.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.