CID 6861538

Nsc60165

Structural Information

Molecular Formula

C₁₃H₉Cl₂N₃O

SMILES

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

InChI

InChI=1S/C13H9Cl2N3O/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

QUEWUOJFERKSEI-CAOOACKPSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 293.01227 Da
Monoisotopic Mass: 3.0
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]+	294.01955	162.8
[M+Na]+	316.00149	171.9
[M-H]-	292.00499	168.8
[M+NH4]+	311.04609	178.2
[M+K]+	331.97543	165.6
[M+H-H2O]+	276.00953	155.3
[M+HCOO]-	338.01047	179.5
[M+CH3COO]-	352.02612	204.2
[M+Na-2H]-	313.98694	168.6
[M]+	293.01172	166.0
[M]-	293.01282	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe