CID 170855412

N-[(e)-2-adamantylmethyleneamino]pyridine-4-carboxamide

Structural Information

Molecular Formula

C₁₇H₂₁N₃O

SMILES

C1C2CC3CC1CC(C2)C3/C=N/NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C17H21N3O/c21-17(13-1-3-18-4-2-13)20-19-10-16-14-6-11-5-12(8-14)9-15(16)7-11/h1-4,10-12,14-16H,5-9H2,(H,20,21)/b19-10+

InChIKey

XEHQCYWNYLPLJW-VXLYETTFSA-N

Compound name

N-[(E)-2-adamantylmethylideneamino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.16846 Da
Monoisotopic Mass: 3.1
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]+	284.175736	158.3
[M+Na]+	306.157678	158.4
[M-H]-	282.161184	156.0
[M+NH4]+	301.202283	177.4
[M+K]+	322.131618	155.0
[M+H-H2O]+	266.165720	149.5
[M+HCOO]-	328.166661	167.4
[M+CH3COO]-	342.182311	165.7
[M+Na-2H]-	304.143126	169.2
[M]+	283.16791142	157.3
[M]-	283.16900858	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.