CID 2760427

4-(piperazin-1-ylsulfonyl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
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

No literature data available for this compound.

Patent stripe

patents stripe