CID 2431957

1170478-53-1

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 165.4
[M+Na]+ 305.12942 173.1
[M-H]- 281.13292 168.1
[M+NH4]+ 300.17402 179.0
[M+K]+ 321.10336 168.0
[M+H-H2O]+ 265.13746 158.1
[M+HCOO]- 327.13840 175.4
[M+CH3COO]- 341.15405 197.3
[M+Na-2H]- 303.11487 165.2
[M]+ 282.13965 164.2
[M]- 282.14075 164.2
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.