CID 2492743

1-(4-propylbenzenesulfonyl)piperazine hydrochloride

Structural Information

Molecular Formula
C13H20N2O2S
SMILES
CCCC1=CC=C(C=C1)S(=O)(=O)N2CCNCC2
InChI
InChI=1S/C13H20N2O2S/c1-2-3-12-4-6-13(7-5-12)18(16,17)15-10-8-14-9-11-15/h4-7,14H,2-3,8-11H2,1H3
InChIKey
UJGNXLDOTDJYGH-UHFFFAOYSA-N
Compound name
1-(4-propylphenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

268.12454 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13182 161.5
[M+Na]+ 291.11376 167.0
[M-H]- 267.11726 163.2
[M+NH4]+ 286.15836 174.7
[M+K]+ 307.08770 162.1
[M+H-H2O]+ 251.12180 153.6
[M+HCOO]- 313.12274 172.0
[M+CH3COO]- 327.13839 190.6
[M+Na-2H]- 289.09921 163.7
[M]+ 268.12399 158.7
[M]- 268.12509 158.7
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

patents stripe