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 166.7
[M+Na]+ 303.14678 170.9
[M-H]- 279.15028 174.3
[M+NH4]+ 298.19138 183.6
[M+K]+ 319.12072 166.4
[M+H-H2O]+ 263.15482 157.4
[M+HCOO]- 325.15576 188.3
[M+CH3COO]- 339.17141 177.3
[M+Na-2H]- 301.13223 170.6
[M]+ 280.15701 162.6
[M]- 280.15811 162.6
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.