CID 9707315

Chembl574097

Structural Information

Molecular Formula

C₁₉H₂₃N₃O₂

SMILES

CCCCCCOC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=NC=C2

InChI

InChI=1S/C19H23N3O2/c1-2-3-4-5-14-24-18-8-6-16(7-9-18)15-21-22-19(23)17-10-12-20-13-11-17/h6-13,15H,2-5,14H2,1H3,(H,22,23)/b21-15+

InChIKey

LDDKTDFDISMJLP-RCCKNPSSSA-N

Compound name

N-[(E)-(4-hexoxyphenyl)methylideneamino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 325.17902 Da
Monoisotopic Mass: 4.1
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]+	326.186296	179.0
[M+Na]+	348.168238	183.2
[M-H]-	324.171744	184.6
[M+NH4]+	343.212843	191.2
[M+K]+	364.142178	179.1
[M+H-H2O]+	308.176280	168.5
[M+HCOO]-	370.177221	203.7
[M+CH3COO]-	384.192871	215.1
[M+Na-2H]-	346.153686	183.9
[M]+	325.17847142	181.7
[M]-	325.17956858	181.7

Literature stripe

literature stripe

Patent stripe

patents stripe