CID 1415427

4-benzyl-1-(4-methylbenzoyl)piperidine

Structural Information

Molecular Formula
C20H23NO
SMILES
CC1=CC=C(C=C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C20H23NO/c1-16-7-9-19(10-8-16)20(22)21-13-11-18(12-14-21)15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3
InChIKey
DVOLWKZEIDCCES-UHFFFAOYSA-N
Compound name
(4-benzylpiperidin-1-yl)-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

293.17798 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.185256 171.9
[M+Na]+ 316.167198 175.9
[M-H]- 292.170704 178.9
[M+NH4]+ 311.211803 185.1
[M+K]+ 332.141138 170.8
[M+H-H2O]+ 276.175240 161.9
[M+HCOO]- 338.176181 189.3
[M+CH3COO]- 352.191831 181.5
[M+Na-2H]- 314.152646 173.5
[M]+ 293.17743142 167.2
[M]- 293.17852858 167.2
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