CID 6893814

Chembl2235148

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

0
Patents

259.05124 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05852 156.3
[M+Na]+ 282.04046 170.7
[M+NH4]+ 277.08506 164.6
[M+K]+ 298.01440 162.3
[M-H]- 258.04396 161.4
[M+Na-2H]- 280.02591 166.6
[M]+ 259.05069 160.0
[M]- 259.05179 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.