CID 43819

N-(1-(1-adamantyl)ethyl)isonicotinamide hydrochloride

Structural Information

Molecular Formula
C18H24N2O
SMILES
CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=NC=C4
InChI
InChI=1S/C18H24N2O/c1-12(20-17(21)16-2-4-19-5-3-16)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,12-15H,6-11H2,1H3,(H,20,21)
InChIKey
IIHLTMKYRMXQES-UHFFFAOYSA-N
Compound name
N-[1-(1-adamantyl)ethyl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.18887 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.19615 167.2
[M+Na]+ 307.17809 176.7
[M+NH4]+ 302.22269 179.4
[M+K]+ 323.15203 166.9
[M-H]- 283.18159 167.3
[M+Na-2H]- 305.16354 166.4
[M]+ 284.18832 168.6
[M]- 284.18942 168.6
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.