CID 2795942

Maybridge3_000015

Structural Information

Molecular Formula

C₁₄H₁₉N₃O₂

SMILES

CCN(CC)C1=C(C=C(C(=N1)C)C#N)C(=O)OCC

InChI

InChI=1S/C14H19N3O2/c1-5-17(6-2)13-12(14(18)19-7-3)8-11(9-15)10(4)16-13/h8H,5-7H2,1-4H3

InChIKey

RAIPDRXZIINVDY-UHFFFAOYSA-N

Compound name

ethyl 5-cyano-2-(diethylamino)-6-methylpyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 261.14774 Da
Monoisotopic Mass: 2.4
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]+	262.155016	159.0
[M+Na]+	284.136958	167.7
[M-H]-	260.140464	162.0
[M+NH4]+	279.181563	173.4
[M+K]+	300.110898	166.4
[M+H-H2O]+	244.145000	144.7
[M+HCOO]-	306.145941	178.0
[M+CH3COO]-	320.161591	215.2
[M+Na-2H]-	282.122406	160.7
[M]+	261.14719142	158.4
[M]-	261.14828858	158.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.