CID 32680

N-(1-adamantyl)isonicotinamide

Structural Information

Molecular Formula

C₁₆H₂₀N₂O

SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C16H20N2O/c19-15(14-1-3-17-4-2-14)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10H2,(H,18,19)

InChIKey

ZYHRNAFWSGXHDQ-UHFFFAOYSA-N

Compound name

N-(1-adamantyl)pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 3
Patents: 256.15756 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	257.16484	158.9
[M+Na]+	279.14678	169.2
[M+NH4]+	274.19138	171.6
[M+K]+	295.12072	159.0
[M-H]-	255.15028	159.3
[M+Na-2H]-	277.13223	158.9
[M]+	256.15701	160.5
[M]-	256.15811	160.5

Literature stripe

literature stripe

Patent stripe

patents stripe