CID 3046841

Piperidine, 1-((4-chlorophenoxy)acetyl)-2-(3-pyridinyl)-, monohydrochloride, (s)-

Structural Information

Molecular Formula
C18H19ClN2O2
SMILES
C1CCN([C@@H](C1)C2=CN=CC=C2)C(=O)COC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H19ClN2O2/c19-15-6-8-16(9-7-15)23-13-18(22)21-11-2-1-5-17(21)14-4-3-10-20-12-14/h3-4,6-10,12,17H,1-2,5,11,13H2/t17-/m0/s1
InChIKey
IMPLTGJRPSTOPG-KRWDZBQOSA-N
Compound name
2-(4-chlorophenoxy)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1135 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12078 177.0
[M+Na]+ 353.10272 192.3
[M+NH4]+ 348.14732 185.1
[M+K]+ 369.07666 183.4
[M-H]- 329.10622 182.3
[M+Na-2H]- 351.08817 186.5
[M]+ 330.11295 181.0
[M]- 330.11405 181.0
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

No patent data available for this compound.