CID 286548

Nsc145004

Structural Information

Molecular Formula
C16H10Cl2N2O2
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)C2=CNC3=C(C2=O)C=CC(=C3)Cl
InChI
InChI=1S/C16H10Cl2N2O2/c17-9-2-1-3-11(6-9)20-16(22)13-8-19-14-7-10(18)4-5-12(14)15(13)21/h1-8H,(H,19,21)(H,20,22)
InChIKey
PTGBQEWDVWZMBZ-UHFFFAOYSA-N
Compound name
7-chloro-N-(3-chlorophenyl)-4-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

332.01193 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.01921 169.6
[M+Na]+ 355.00115 180.4
[M-H]- 331.00465 174.4
[M+NH4]+ 350.04575 183.7
[M+K]+ 370.97509 172.4
[M+H-H2O]+ 315.00919 162.8
[M+HCOO]- 377.01013 181.4
[M+CH3COO]- 391.02578 180.6
[M+Na-2H]- 352.98660 174.6
[M]+ 332.01138 172.3
[M]- 332.01248 172.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe