CID 740953

83863-42-7

Structural Information

Molecular Formula
C18H22N2O2S
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C18H22N2O2S/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)23(21,22)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKey
RMVJTBYILZMIFQ-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

330.1402 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.147476 177.8
[M+Na]+ 353.129418 184.7
[M-H]- 329.132924 184.4
[M+NH4]+ 348.174023 189.2
[M+K]+ 369.103358 179.0
[M+H-H2O]+ 313.137460 168.2
[M+HCOO]- 375.138401 189.5
[M+CH3COO]- 389.154051 206.4
[M+Na-2H]- 351.114866 179.2
[M]+ 330.13965142 176.6
[M]- 330.14074858 176.6
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.