CID 64419

61876-31-1

Structural Information

Molecular Formula

C₁₈H₂₄N₂O

SMILES

C1C2CC3CC1CC(C2)(C3)CCNC(=O)C4=CN=CC=C4

InChI

InChI=1S/C18H24N2O/c21-17(16-2-1-4-19-12-16)20-5-3-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-2,4,12-15H,3,5-11H2,(H,20,21)

InChIKey

CDEDPXIGAXBRKQ-UHFFFAOYSA-N

Compound name

N-[2-(1-adamantyl)ethyl]pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 284.18887 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe