CID 6861539

144293-91-4

Structural Information

Molecular Formula
C13H9Cl2N3O
SMILES
C1=CC(=C(C=C1Cl)Cl)/C=N/NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C13H9Cl2N3O/c14-11-2-1-10(12(15)7-11)8-17-18-13(19)9-3-5-16-6-4-9/h1-8H,(H,18,19)/b17-8+
InChIKey
MCYZXLQRWHJGIT-CAOOACKPSA-N
Compound name
N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3
Patents

293.01227 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

patents stripe