CID 17480859

682341-19-1

Structural Information

Molecular Formula
C12H19N3O2S
SMILES
CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H19N3O2S/c1-2-14-7-9-15(10-8-14)18(16,17)12-5-3-11(13)4-6-12/h3-6H,2,7-10,13H2,1H3
InChIKey
CEFNHAPURWWQNH-UHFFFAOYSA-N
Compound name
4-(4-ethylpiperazin-1-yl)sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1198 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.127076 161.0
[M+Na]+ 292.109018 167.4
[M-H]- 268.112524 164.0
[M+NH4]+ 287.153623 174.5
[M+K]+ 308.082958 163.0
[M+H-H2O]+ 252.117060 152.9
[M+HCOO]- 314.118001 173.6
[M+CH3COO]- 328.133651 195.7
[M+Na-2H]- 290.094466 163.1
[M]+ 269.11925142 158.3
[M]- 269.12034858 158.3
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.