CID 210041

Piperidine, 1-(p-(isopropylsulfonyl)benzoyl)-

Structural Information

Molecular Formula
C15H21NO3S
SMILES
CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCCC2
InChI
InChI=1S/C15H21NO3S/c1-12(2)20(18,19)14-8-6-13(7-9-14)15(17)16-10-4-3-5-11-16/h6-9,12H,3-5,10-11H2,1-2H3
InChIKey
MACBFFGOTNOYMB-UHFFFAOYSA-N
Compound name
piperidin-1-yl-(4-propan-2-ylsulfonylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1242 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13148 166.9
[M+Na]+ 318.11342 171.5
[M-H]- 294.11692 171.3
[M+NH4]+ 313.15802 180.8
[M+K]+ 334.08736 168.3
[M+H-H2O]+ 278.12146 159.4
[M+HCOO]- 340.12240 177.9
[M+CH3COO]- 354.13805 198.7
[M+Na-2H]- 316.09887 166.8
[M]+ 295.12365 165.7
[M]- 295.12475 165.7
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

No patent data available for this compound.