CID 3087878

2-piperidinone, 3-(3,4-dichlorophenyl)-4-phenyl-, trans-

Structural Information

Molecular Formula
C17H15Cl2NO
SMILES
C1CNC(=O)[C@@H]([C@H]1C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H15Cl2NO/c18-14-7-6-12(10-15(14)19)16-13(8-9-20-17(16)21)11-4-2-1-3-5-11/h1-7,10,13,16H,8-9H2,(H,20,21)/t13-,16-/m1/s1
InChIKey
ZIUJEQXKNXGRHN-CZUORRHYSA-N
Compound name
(3S,4S)-3-(3,4-dichlorophenyl)-4-phenylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

319.05307 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.06035 171.4
[M+Na]+ 342.04229 179.6
[M-H]- 318.04579 177.1
[M+NH4]+ 337.08689 184.8
[M+K]+ 358.01623 171.2
[M+H-H2O]+ 302.05033 163.4
[M+HCOO]- 364.05127 179.6
[M+CH3COO]- 378.06692 181.3
[M+Na-2H]- 340.02774 172.6
[M]+ 319.05252 169.1
[M]- 319.05362 169.1
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