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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07504 155.0
[M+Na]+ 278.05698 161.9
[M-H]- 254.06048 157.0
[M+NH4]+ 273.10158 168.2
[M+K]+ 294.03092 157.1
[M+H-H2O]+ 238.06502 147.5
[M+HCOO]- 300.06596 167.1
[M+CH3COO]- 314.08161 188.7
[M+Na-2H]- 276.04243 157.9
[M]+ 255.06721 150.5
[M]- 255.06831 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.