CID 2398130

1-[(4-isopropylphenyl)sulfonyl]piperazine

Structural Information

Molecular Formula
C13H20N2O2S
SMILES
CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCNCC2
InChI
InChI=1S/C13H20N2O2S/c1-11(2)12-3-5-13(6-4-12)18(16,17)15-9-7-14-8-10-15/h3-6,11,14H,7-10H2,1-2H3
InChIKey
UIJPDEFOQMIKFK-UHFFFAOYSA-N
Compound name
1-(4-propan-2-ylphenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

268.12454 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13182 160.5
[M+Na]+ 291.11376 171.1
[M+NH4]+ 286.15836 167.4
[M+K]+ 307.08770 164.1
[M-H]- 267.11726 161.7
[M+Na-2H]- 289.09921 165.8
[M]+ 268.12399 162.6
[M]- 268.12509 162.6
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

patents stripe