CID 210148

N-(1-benzylcyclopentyl)nicotinamide maleate

Structural Information

Molecular Formula
C18H20N2O
SMILES
C1CCC(C1)(CC2=CC=CC=C2)NC(=O)C3=CN=CC=C3
InChI
InChI=1S/C18H20N2O/c21-17(16-9-6-12-19-14-16)20-18(10-4-5-11-18)13-15-7-2-1-3-8-15/h1-3,6-9,12,14H,4-5,10-11,13H2,(H,20,21)
InChIKey
MZAUWESOHSCJRJ-UHFFFAOYSA-N
Compound name
N-(1-benzylcyclopentyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 168.7
[M+Na]+ 303.14678 180.8
[M+NH4]+ 298.19138 178.6
[M+K]+ 319.12072 172.5
[M-H]- 279.15028 174.6
[M+Na-2H]- 301.13223 179.6
[M]+ 280.15701 172.1
[M]- 280.15811 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.