CID 478694

Chembl289741

Structural Information

Molecular Formula
C22H15Cl2N3O2
SMILES
C1=CC(=C(C=C1CN2C=C(C(=O)C3=C2C=C(C=C3)C4=CC=NC=C4)C(=O)N)Cl)Cl
InChI
InChI=1S/C22H15Cl2N3O2/c23-18-4-1-13(9-19(18)24)11-27-12-17(22(25)29)21(28)16-3-2-15(10-20(16)27)14-5-7-26-8-6-14/h1-10,12H,11H2,(H2,25,29)
InChIKey
ZXUIVHUSLQAEHH-UHFFFAOYSA-N
Compound name
1-[(3,4-dichlorophenyl)methyl]-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

423.05414 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.06142 197.7
[M+Na]+ 446.04336 208.8
[M-H]- 422.04686 204.8
[M+NH4]+ 441.08796 206.7
[M+K]+ 462.01730 199.9
[M+H-H2O]+ 406.05140 187.2
[M+HCOO]- 468.05234 207.7
[M+CH3COO]- 482.06799 206.8
[M+Na-2H]- 444.02881 199.7
[M]+ 423.05359 201.9
[M]- 423.05469 201.9
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

No patent data available for this compound.