CID 285516

N-benzyl-3-(4-phenyl-1,2,3,6-tetrahydropyridino)-propionamide

Structural Information

Molecular Formula
C21H24N2O
SMILES
C1CN(CC=C1C2=CC=CC=C2)CCC(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C21H24N2O/c24-21(22-17-18-7-3-1-4-8-18)13-16-23-14-11-20(12-15-23)19-9-5-2-6-10-19/h1-11H,12-17H2,(H,22,24)
InChIKey
LBWOTVQUFHARSN-UHFFFAOYSA-N
Compound name
N-benzyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

320.18887 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 178.3
[M+Na]+ 343.17809 181.0
[M-H]- 319.18159 184.9
[M+NH4]+ 338.22269 189.7
[M+K]+ 359.15203 175.3
[M+H-H2O]+ 303.18613 167.5
[M+HCOO]- 365.18707 197.7
[M+CH3COO]- 379.20272 209.6
[M+Na-2H]- 341.16354 181.7
[M]+ 320.18832 174.2
[M]- 320.18942 174.2
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.