CID 22684

Phenyl alpha-piperidinobenzyl ketone hydrochloride

Structural Information

Molecular Formula
C19H21NO
SMILES
C1CCN(CC1)C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H21NO/c21-19(17-12-6-2-7-13-17)18(16-10-4-1-5-11-16)20-14-8-3-9-15-20/h1-2,4-7,10-13,18H,3,8-9,14-15H2
InChIKey
YNLPWDOOECMWIQ-UHFFFAOYSA-N
Compound name
1,2-diphenyl-2-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

279.16232 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.16960 167.1
[M+Na]+ 302.15154 169.2
[M-H]- 278.15504 173.4
[M+NH4]+ 297.19614 179.9
[M+K]+ 318.12548 164.7
[M+H-H2O]+ 262.15958 156.9
[M+HCOO]- 324.16052 183.7
[M+CH3COO]- 338.17617 176.2
[M+Na-2H]- 300.13699 169.5
[M]+ 279.16177 160.6
[M]- 279.16287 160.6
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