CID 38050

Acetamidoglutethimide

Structural Information

Molecular Formula

C₁₅H₁₈N₂O₃

SMILES

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

InChI

InChI=1S/C15H18N2O3/c1-3-15(9-8-13(19)17-14(15)20)11-4-6-12(7-5-11)16-10(2)18/h4-7H,3,8-9H2,1-2H3,(H,16,18)(H,17,19,20)

InChIKey

PBWKSBSBPBMFIS-UHFFFAOYSA-N

Compound name

N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 1
Patents: 274.13174 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]+	275.13902	162.7
[M+Na]+	297.12096	168.7
[M-H]-	273.12446	166.4
[M+NH4]+	292.16556	178.4
[M+K]+	313.09490	165.0
[M+H-H2O]+	257.12900	155.4
[M+HCOO]-	319.12994	180.8
[M+CH3COO]-	333.14559	198.3
[M+Na-2H]-	295.10641	165.3
[M]+	274.13119	158.9
[M]-	274.13229	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe