CID 6870301

Chembl4059890

Structural Information

Molecular Formula

C₁₅H₁₅N₃O₂

SMILES

CCOC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=NC=C2

InChI

InChI=1S/C15H15N3O2/c1-2-20-14-5-3-12(4-6-14)11-17-18-15(19)13-7-9-16-10-8-13/h3-11H,2H2,1H3,(H,18,19)/b17-11+

InChIKey

PNEMHYMYETUTDJ-GZTJUZNOSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 269.11642 Da
Monoisotopic Mass: 2.1
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]+	270.123696	161.0
[M+Na]+	292.105638	167.0
[M-H]-	268.109144	167.5
[M+NH4]+	287.150243	175.6
[M+K]+	308.079578	163.9
[M+H-H2O]+	252.113680	151.4
[M+HCOO]-	314.114621	187.1
[M+CH3COO]-	328.130271	203.2
[M+Na-2H]-	290.091086	168.1
[M]+	269.11587142	162.4
[M]-	269.11696858	162.4

Literature stripe

literature stripe

Patent stripe

patents stripe