CID 3053167

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

Structural Information

Molecular Formula
C17H25NO3S
SMILES
CCS(=O)(=O)C1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2
InChI
InChI=1S/C17H25NO3S/c1-3-22(20,21)16-9-7-15(8-10-16)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3
InChIKey
RDVSQRIYAMOYGO-UHFFFAOYSA-N
Compound name
1-(4-ethylsulfonylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

323.15552 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.16280 175.4
[M+Na]+ 346.14474 179.0
[M-H]- 322.14824 179.3
[M+NH4]+ 341.18934 188.1
[M+K]+ 362.11868 175.4
[M+H-H2O]+ 306.15278 167.5
[M+HCOO]- 368.15372 185.7
[M+CH3COO]- 382.16937 205.3
[M+Na-2H]- 344.13019 174.4
[M]+ 323.15497 175.0
[M]- 323.15607 175.0
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