CID 64418

N-(1-(1-adamantyl)ethyl)nicotinamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.18887 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.19615 165.4
[M+Na]+ 307.17809 165.1
[M-H]- 283.18159 161.6
[M+NH4]+ 302.22269 185.7
[M+K]+ 323.15203 161.3
[M+H-H2O]+ 267.18613 156.2
[M+HCOO]- 329.18707 170.3
[M+CH3COO]- 343.20272 171.8
[M+Na-2H]- 305.16354 174.5
[M]+ 284.18832 163.4
[M]- 284.18942 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.