CID 22684

Acetophenone, 2-phenyl-2-piperidino-, 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

5
Patents

279.16232 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.169596 167.1
[M+Na]+ 302.151538 169.2
[M-H]- 278.155044 173.4
[M+NH4]+ 297.196143 179.9
[M+K]+ 318.125478 164.7
[M+H-H2O]+ 262.159580 156.9
[M+HCOO]- 324.160521 183.7
[M+CH3COO]- 338.176171 176.2
[M+Na-2H]- 300.136986 169.5
[M]+ 279.16177142 160.6
[M]- 279.16286858 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