CID 65954877

2446932-26-7

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₂

SMILES

C1CC(=O)NC(=O)C1NC2=CC=CC(=C2)N

InChI

InChI=1S/C11H13N3O2/c12-7-2-1-3-8(6-7)13-9-4-5-10(15)14-11(9)16/h1-3,6,9,13H,4-5,12H2,(H,14,15,16)

InChIKey

HWWKOVGSUZFLBU-UHFFFAOYSA-N

Compound name

3-(3-aminoanilino)piperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 99
Patents: 219.10077 Da
Monoisotopic Mass: 0.5
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]+	220.10805	147.5
[M+Na]+	242.08999	153.5
[M-H]-	218.09349	151.0
[M+NH4]+	237.13459	162.9
[M+K]+	258.06393	149.4
[M+H-H2O]+	202.09803	139.8
[M+HCOO]-	264.09897	168.0
[M+CH3COO]-	278.11462	189.7
[M+Na-2H]-	240.07544	151.5
[M]+	219.10022	140.2
[M]-	219.10132	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe