CID 2729533

Chembl312631

Structural Information

Molecular Formula
C21H26N2O2
SMILES
COC1=CC=CC=C1CC(=O)NC2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C21H26N2O2/c1-25-20-10-6-5-9-18(20)15-21(24)22-19-11-13-23(14-12-19)16-17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3,(H,22,24)
InChIKey
FSSMCNONYPJAGO-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

338.19943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.206706 182.8
[M+Na]+ 361.188648 185.3
[M-H]- 337.192154 189.5
[M+NH4]+ 356.233253 193.6
[M+K]+ 377.162588 180.6
[M+H-H2O]+ 321.196690 172.0
[M+HCOO]- 383.197631 201.0
[M+CH3COO]- 397.213281 213.2
[M+Na-2H]- 359.174096 184.5
[M]+ 338.19888142 179.2
[M]- 338.19997858 179.2
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

No patent data available for this compound.