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 161.0
[M+Na]+ 292.10902 167.4
[M-H]- 268.11252 164.0
[M+NH4]+ 287.15362 174.5
[M+K]+ 308.08296 163.0
[M+H-H2O]+ 252.11706 152.9
[M+HCOO]- 314.11800 173.6
[M+CH3COO]- 328.13365 195.7
[M+Na-2H]- 290.09447 163.1
[M]+ 269.11925 158.3
[M]- 269.12035 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.