CID 3065192

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

Structural Information

Molecular Formula
C17H16ClNO
SMILES
C1CNC(=O)[C@@H]([C@@H]1C2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C17H16ClNO/c18-14-8-6-12(7-9-14)15-10-11-19-17(20)16(15)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2,(H,19,20)/t15-,16+/m0/s1
InChIKey
WVAOOJWWVVVNGE-JKSUJKDBSA-N
Compound name
(3S,4R)-4-(4-chlorophenyl)-3-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 165.4
[M+Na]+ 308.08126 172.4
[M-H]- 284.08476 171.6
[M+NH4]+ 303.12586 179.5
[M+K]+ 324.05520 164.9
[M+H-H2O]+ 268.08930 156.8
[M+HCOO]- 330.09024 178.7
[M+CH3COO]- 344.10589 175.8
[M+Na-2H]- 306.06671 168.1
[M]+ 285.09149 161.3
[M]- 285.09259 161.3
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