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

27
Patents

241.0885 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09578 152.2
[M+Na]+ 264.07772 158.2
[M-H]- 240.08122 153.8
[M+NH4]+ 259.12232 165.9
[M+K]+ 280.05166 153.4
[M+H-H2O]+ 224.08576 144.6
[M+HCOO]- 286.08670 164.0
[M+CH3COO]- 300.10235 186.1
[M+Na-2H]- 262.06317 155.6
[M]+ 241.08795 146.6
[M]- 241.08905 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