CID 285516

Mls002920567

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 180.7
[M+Na]+ 343.17809 194.4
[M+NH4]+ 338.22269 188.9
[M+K]+ 359.15203 184.9
[M-H]- 319.18159 187.5
[M+Na-2H]- 341.16354 191.0
[M]+ 320.18832 184.6
[M]- 320.18942 184.6
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.