CID 3065190

2-piperidinone, 3-(4-chlorophenyl)-4-phenyl-, cis-

Structural Information

Molecular Formula
C17H16ClNO
SMILES
C1CNC(=O)[C@@H]([C@@H]1C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H16ClNO/c18-14-8-6-13(7-9-14)16-15(10-11-19-17(16)20)12-4-2-1-3-5-12/h1-9,15-16H,10-11H2,(H,19,20)/t15-,16+/m0/s1
InChIKey
GXMMERGBGMKTND-JKSUJKDBSA-N
Compound name
(3S,4R)-3-(4-chlorophenyl)-4-phenylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

285.09204 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.09932 166.0
[M+Na]+ 308.08126 182.5
[M+NH4]+ 303.12586 175.5
[M+K]+ 324.05520 172.7
[M-H]- 284.08476 172.5
[M+Na-2H]- 306.06671 176.2
[M]+ 285.09149 170.7
[M]- 285.09259 170.7
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

patents stripe