CID 43132172

2-chloro-1-{4-[2-(4-methylphenyl)ethyl]piperidin-1-yl}ethan-1-one

Structural Information

Molecular Formula
C16H22ClNO
SMILES
CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CCl
InChI
InChI=1S/C16H22ClNO/c1-13-2-4-14(5-3-13)6-7-15-8-10-18(11-9-15)16(19)12-17/h2-5,15H,6-12H2,1H3
InChIKey
VQPDBJUTYVZYDJ-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.13898 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14626 166.1
[M+Na]+ 302.12820 179.5
[M+NH4]+ 297.17280 174.8
[M+K]+ 318.10214 170.8
[M-H]- 278.13170 169.9
[M+Na-2H]- 300.11365 172.9
[M]+ 279.13843 169.4
[M]- 279.13953 169.4
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.