CID 89341

3-piperidino-2-phenylpropiophenone

Structural Information

Molecular Formula
C20H23NO
SMILES
C1CCN(CC1)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H23NO/c22-20(18-12-6-2-7-13-18)19(17-10-4-1-5-11-17)16-21-14-8-3-9-15-21/h1-2,4-7,10-13,19H,3,8-9,14-16H2
InChIKey
KJPKPBMWHKBKHG-UHFFFAOYSA-N
Compound name
1,2-diphenyl-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6
Patents

293.17798 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 171.6
[M+Na]+ 316.16720 173.2
[M-H]- 292.17070 177.7
[M+NH4]+ 311.21180 183.8
[M+K]+ 332.14114 168.5
[M+H-H2O]+ 276.17524 161.2
[M+HCOO]- 338.17618 187.8
[M+CH3COO]- 352.19183 180.3
[M+Na-2H]- 314.15265 173.4
[M]+ 293.17743 165.5
[M]- 293.17853 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe