CID 341427

91393-02-1

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃

SMILES

C1CC(=O)NC(=O)C1NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H12N2O3/c15-10-7-6-9(12(17)14-10)13-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15,17)

InChIKey

QDCDITVKCKBZTO-UHFFFAOYSA-N

Compound name

N-(2,6-dioxopiperidin-3-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 75
Patents: 232.0848 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]+	233.09208	150.0
[M+Na]+	255.07402	155.4
[M-H]-	231.07752	153.5
[M+NH4]+	250.11862	164.9
[M+K]+	271.04796	151.9
[M+H-H2O]+	215.08206	142.2
[M+HCOO]-	277.08300	169.1
[M+CH3COO]-	291.09865	188.4
[M+Na-2H]-	253.05947	153.6
[M]+	232.08425	144.3
[M]-	232.08535	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe