CID 3053165

1-(4-methylsulfonylphenyl)-3-piperidino-2-methylpropanone-1 hydrochloride

Structural Information

Molecular Formula
C16H23NO3S
SMILES
CC(CN1CCCCC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C
InChI
InChI=1S/C16H23NO3S/c1-13(12-17-10-4-3-5-11-17)16(18)14-6-8-15(9-7-14)21(2,19)20/h6-9,13H,3-5,10-12H2,1-2H3
InChIKey
BQTIUXARJJFCEQ-UHFFFAOYSA-N
Compound name
2-methyl-1-(4-methylsulfonylphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.13986 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14714 170.5
[M+Na]+ 332.12908 180.4
[M+NH4]+ 327.17368 177.1
[M+K]+ 348.10302 173.6
[M-H]- 308.13258 172.0
[M+Na-2H]- 330.11453 175.5
[M]+ 309.13931 172.6
[M]- 309.14041 172.6
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