CID 6893814

89813-99-0

Structural Information

Molecular Formula

C₁₃H₁₀ClN₃O

SMILES

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

InChI

InChI=1S/C13H10ClN3O/c14-12-5-3-10(4-6-12)8-16-17-13(18)11-2-1-7-15-9-11/h1-9H,(H,17,18)/b16-8+

InChIKey

LMCSFIMMOQFXSU-LZYBPNLTSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 259.05124 Da
Monoisotopic Mass: 2.6
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]+	260.05852	156.1
[M+Na]+	282.04046	163.9
[M-H]-	258.04396	162.6
[M+NH4]+	277.08506	172.1
[M+K]+	298.01440	158.8
[M+H-H2O]+	242.04850	147.7
[M+HCOO]-	304.04944	178.0
[M+CH3COO]-	318.06509	198.7
[M+Na-2H]-	280.02591	163.6
[M]+	259.05069	157.6
[M]-	259.05179	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe