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]+ 283.147476 165.4
[M+Na]+ 305.129418 173.1
[M-H]- 281.132924 168.1
[M+NH4]+ 300.174023 179.0
[M+K]+ 321.103358 168.0
[M+H-H2O]+ 265.137460 158.1
[M+HCOO]- 327.138401 175.4
[M+CH3COO]- 341.154051 197.3
[M+Na-2H]- 303.114866 165.2
[M]+ 282.13965142 164.2
[M]- 282.14074858 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.