CID 2431957

1-[(2,3,5,6-tetramethylphenyl)sulfonyl]piperazine hydrochloride

Structural Information

Molecular Formula
C14H22N2O2S
SMILES
CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCNCC2)C)C
InChI
InChI=1S/C14H22N2O2S/c1-10-9-11(2)13(4)14(12(10)3)19(17,18)16-7-5-15-6-8-16/h9,15H,5-8H2,1-4H3
InChIKey
JMUKEMDGNYTFDQ-UHFFFAOYSA-N
Compound name
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

282.1402 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14748 166.6
[M+Na]+ 305.12942 178.4
[M+NH4]+ 300.17402 173.4
[M+K]+ 321.10336 170.9
[M-H]- 281.13292 168.2
[M+Na-2H]- 303.11487 171.2
[M]+ 282.13965 169.1
[M]- 282.14075 169.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.