CID 139595262

Dtxsid001028372

Structural Information

Molecular Formula
C18H12Cl2N2O2
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)NC(=O)C3=C(NC(=O)C=C3)Cl
InChI
InChI=1S/C18H12Cl2N2O2/c19-12-7-5-11(6-8-12)13-3-1-2-4-15(13)21-18(24)14-9-10-16(23)22-17(14)20/h1-10H,(H,21,24)(H,22,23)
InChIKey
HMLFSHLLNMSSIM-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(4-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

358.0276 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.03488 178.2
[M+Na]+ 381.01682 188.0
[M-H]- 357.02032 185.0
[M+NH4]+ 376.06142 189.9
[M+K]+ 396.99076 179.6
[M+H-H2O]+ 341.02486 170.0
[M+HCOO]- 403.02580 190.8
[M+CH3COO]- 417.04145 188.6
[M+Na-2H]- 379.00227 181.3
[M]+ 358.02705 180.3
[M]- 358.02815 180.3
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.