CID 4713666

3-[(4-ethylpiperazin-1-yl)sulfonyl]aniline

Structural Information

Molecular Formula
C12H19N3O2S
SMILES
CCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)N
InChI
InChI=1S/C12H19N3O2S/c1-2-14-6-8-15(9-7-14)18(16,17)12-5-3-4-11(13)10-12/h3-5,10H,2,6-9,13H2,1H3
InChIKey
WRSXVRQLSKYZMN-UHFFFAOYSA-N
Compound name
3-(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]+ 270.12708 160.0
[M+Na]+ 292.10902 170.5
[M+NH4]+ 287.15362 166.8
[M+K]+ 308.08296 163.5
[M-H]- 268.11252 162.1
[M+Na-2H]- 290.09447 165.6
[M]+ 269.11925 162.3
[M]- 269.12035 162.3
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.