CID 7131422

4-(piperazine-1-sulfonyl)benzene-1-sulfonamide hydrochloride

Structural Information

Molecular Formula
C10H15N3O4S2
SMILES
C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C10H15N3O4S2/c11-18(14,15)9-1-3-10(4-2-9)19(16,17)13-7-5-12-6-8-13/h1-4,12H,5-8H2,(H2,11,14,15)
InChIKey
CATPRPFJRXCNSX-UHFFFAOYSA-N
Compound name
4-piperazin-1-ylsulfonylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.05038 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.05766 165.7
[M+Na]+ 328.03960 171.7
[M-H]- 304.04310 166.6
[M+NH4]+ 323.08420 176.5
[M+K]+ 344.01354 165.7
[M+H-H2O]+ 288.04764 158.7
[M+HCOO]- 350.04858 171.3
[M+CH3COO]- 364.06423 194.2
[M+Na-2H]- 326.02505 169.1
[M]+ 305.04983 161.7
[M]- 305.05093 161.7
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.