CID 1378917

260428-67-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

293.17798 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 171.9
[M+Na]+ 316.16720 175.9
[M-H]- 292.17070 178.9
[M+NH4]+ 311.21180 185.1
[M+K]+ 332.14114 170.8
[M+H-H2O]+ 276.17524 161.9
[M+HCOO]- 338.17618 189.3
[M+CH3COO]- 352.19183 181.5
[M+Na-2H]- 314.15265 173.5
[M]+ 293.17743 167.2
[M]- 293.17853 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