CID 3695958

1171234-46-0

Structural Information

Molecular Formula
C14H22N2O2S
SMILES
CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCNCC2
InChI
InChI=1S/C14H22N2O2S/c1-3-12(2)13-4-6-14(7-5-13)19(17,18)16-10-8-15-9-11-16/h4-7,12,15H,3,8-11H2,1-2H3
InChIKey
GWJIWGHMZOHUCS-UHFFFAOYSA-N
Compound name
1-(4-butan-2-ylphenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

282.1402 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14748 165.2
[M+Na]+ 305.12942 170.0
[M-H]- 281.13292 166.9
[M+NH4]+ 300.17402 177.8
[M+K]+ 321.10336 165.5
[M+H-H2O]+ 265.13746 157.4
[M+HCOO]- 327.13840 174.4
[M+CH3COO]- 341.15405 194.5
[M+Na-2H]- 303.11487 166.1
[M]+ 282.13965 162.2
[M]- 282.14075 162.2
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