CID 16786327

4-(3-aminobenzenesulfonyl)piperazin-2-one

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₃S

SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)N

InChI

InChI=1S/C10H13N3O3S/c11-8-2-1-3-9(6-8)17(15,16)13-5-4-12-10(14)7-13/h1-3,6H,4-5,7,11H2,(H,12,14)

InChIKey

XZZAWPCMAWZHAH-UHFFFAOYSA-N

Compound name

4-(3-aminophenyl)sulfonylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.06776 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]+	256.075036	155.0
[M+Na]+	278.056978	161.9
[M-H]-	254.060484	157.0
[M+NH4]+	273.101583	168.2
[M+K]+	294.030918	157.1
[M+H-H2O]+	238.065020	147.5
[M+HCOO]-	300.065961	167.1
[M+CH3COO]-	314.081611	188.7
[M+Na-2H]-	276.042426	157.9
[M]+	255.06721142	150.5
[M]-	255.06830858	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.