CID 901897

170856-87-8

Structural Information

Molecular Formula
C10H15N3O2S
SMILES
C1CN(CCN1)C2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C10H15N3O2S/c11-16(14,15)10-3-1-9(2-4-10)13-7-5-12-6-8-13/h1-4,12H,5-8H2,(H2,11,14,15)
InChIKey
UGGDHKASBRILQW-UHFFFAOYSA-N
Compound name
4-piperazin-1-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

62
Patents

241.0885 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.095776 152.2
[M+Na]+ 264.077718 158.2
[M-H]- 240.081224 153.8
[M+NH4]+ 259.122323 165.9
[M+K]+ 280.051658 153.4
[M+H-H2O]+ 224.085760 144.6
[M+HCOO]- 286.086701 164.0
[M+CH3COO]- 300.102351 186.1
[M+Na-2H]- 262.063166 155.6
[M]+ 241.08795142 146.6
[M]- 241.08904858 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe