CID 43823

N-(2-(1-adamantyl)ethyl)isonicotinamide hydrochloride

Structural Information

Molecular Formula
C18H24N2O
SMILES
C1C2CC3CC1CC(C2)(C3)CCNC(=O)C4=CC=NC=C4
InChI
InChI=1S/C18H24N2O/c21-17(16-1-4-19-5-2-16)20-6-3-18-10-13-7-14(11-18)9-15(8-13)12-18/h1-2,4-5,13-15H,3,6-12H2,(H,20,21)
InChIKey
ZNDJLARLEGJZGW-UHFFFAOYSA-N
Compound name
N-[2-(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

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.196146 164.3
[M+Na]+ 307.178088 164.3
[M-H]- 283.181594 160.4
[M+NH4]+ 302.222693 184.6
[M+K]+ 323.152028 160.0
[M+H-H2O]+ 267.186130 154.7
[M+HCOO]- 329.187071 170.3
[M+CH3COO]- 343.202721 170.8
[M+Na-2H]- 305.163536 174.5
[M]+ 284.18832142 162.9
[M]- 284.18941858 162.9
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.