CID 24433288

Chembl575416

Structural Information

Molecular Formula

C₁₃H₉F₂N₃O

SMILES

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

InChI

InChI=1S/C13H9F2N3O/c14-11-2-1-9(7-12(11)15)8-17-18-13(19)10-3-5-16-6-4-10/h1-8H,(H,18,19)/b17-8+

InChIKey

ZBOSBASICJRBTB-CAOOACKPSA-N

Compound name

N-[(E)-(3,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 261.07138 Da
Monoisotopic Mass: 2.0
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]+	262.07866	154.7
[M+Na]+	284.06060	162.8
[M-H]-	260.06410	159.1
[M+NH4]+	279.10520	169.9
[M+K]+	300.03454	158.6
[M+H-H2O]+	244.06864	143.9
[M+HCOO]-	306.06958	179.1
[M+CH3COO]-	320.08523	201.6
[M+Na-2H]-	282.04605	160.8
[M]+	261.07083	152.2
[M]-	261.07193	152.2

Literature stripe

literature stripe

Patent stripe

patents stripe