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]+ 285.19615 164.3
[M+Na]+ 307.17809 164.3
[M-H]- 283.18159 160.4
[M+NH4]+ 302.22269 184.6
[M+K]+ 323.15203 160.0
[M+H-H2O]+ 267.18613 154.7
[M+HCOO]- 329.18707 170.3
[M+CH3COO]- 343.20272 170.8
[M+Na-2H]- 305.16354 174.5
[M]+ 284.18832 162.9
[M]- 284.18942 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.