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]+ 296.131476 166.9
[M+Na]+ 318.113418 171.5
[M-H]- 294.116924 171.3
[M+NH4]+ 313.158023 180.8
[M+K]+ 334.087358 168.3
[M+H-H2O]+ 278.121460 159.4
[M+HCOO]- 340.122401 177.9
[M+CH3COO]- 354.138051 198.7
[M+Na-2H]- 316.098866 166.8
[M]+ 295.12365142 165.7
[M]- 295.12474858 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.