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]+ 285.196146 165.4
[M+Na]+ 307.178088 165.1
[M-H]- 283.181594 161.6
[M+NH4]+ 302.222693 185.7
[M+K]+ 323.152028 161.3
[M+H-H2O]+ 267.186130 156.2
[M+HCOO]- 329.187071 170.3
[M+CH3COO]- 343.202721 171.8
[M+Na-2H]- 305.163536 174.5
[M]+ 284.18832142 163.4
[M]- 284.18941858 163.4
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.