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

11534
Patents

217.11028 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 148.6
[M+Na]+ 240.09950 155.5
[M-H]- 216.10300 152.3
[M+NH4]+ 235.14410 166.8
[M+K]+ 256.07344 151.6
[M+H-H2O]+ 200.10754 141.6
[M+HCOO]- 262.10848 167.0
[M+CH3COO]- 276.12413 184.3
[M+Na-2H]- 238.08495 153.4
[M]+ 217.10973 144.2
[M]- 217.11083 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe