CID 3487

Glutethimide

Structural Information

Molecular Formula

C₁₃H₁₅NO₂

SMILES

CCC1(CCC(=O)NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)

InChIKey

JMBQKKAJIKAWKF-UHFFFAOYSA-N

Compound name

3-ethyl-3-phenylpiperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 828
References: 11352
Patents: 217.11028 Da
Monoisotopic Mass: 1.9
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]+	218.117556	148.6
[M+Na]+	240.099498	155.5
[M-H]-	216.103004	152.3
[M+NH4]+	235.144103	166.8
[M+K]+	256.073438	151.6
[M+H-H2O]+	200.107540	141.6
[M+HCOO]-	262.108481	167.0
[M+CH3COO]-	276.124131	184.3
[M+Na-2H]-	238.084946	153.4
[M]+	217.10973142	144.2
[M]-	217.11082858	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe