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]+ 331.120776 176.6
[M+Na]+ 353.102718 182.1
[M-H]- 329.106224 182.2
[M+NH4]+ 348.147323 187.6
[M+K]+ 369.076658 176.2
[M+H-H2O]+ 313.110760 166.0
[M+HCOO]- 375.111701 188.8
[M+CH3COO]- 389.127351 185.7
[M+Na-2H]- 351.088166 178.9
[M]+ 330.11295142 175.4
[M]- 330.11404858 175.4
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.