CID 3040021

N-cyclohexyl-5-phenyl-3-pyridinecarboxamide

Structural Information

Molecular Formula
C18H20N2O
SMILES
C1CCC(CC1)NC(=O)C2=CN=CC(=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H20N2O/c21-18(20-17-9-5-2-6-10-17)16-11-15(12-19-13-16)14-7-3-1-4-8-14/h1,3-4,7-8,11-13,17H,2,5-6,9-10H2,(H,20,21)
InChIKey
VRGWXJFBSFNCJW-UHFFFAOYSA-N
Compound name
N-cyclohexyl-5-phenylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 166.1
[M+Na]+ 303.14678 169.1
[M-H]- 279.15028 173.0
[M+NH4]+ 298.19138 179.1
[M+K]+ 319.12072 164.4
[M+H-H2O]+ 263.15482 155.9
[M+HCOO]- 325.15576 185.2
[M+CH3COO]- 339.17141 175.7
[M+Na-2H]- 301.13223 170.1
[M]+ 280.15701 159.7
[M]- 280.15811 159.7
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.