CID 478682

Chembl288294

Structural Information

Molecular Formula
C21H15N3O2
SMILES
C1=CC=C(C=C1)N2C=C(C(=O)C3=C2C=C(C=C3)C4=CC=NC=C4)C(=O)N
InChI
InChI=1S/C21H15N3O2/c22-21(26)18-13-24(16-4-2-1-3-5-16)19-12-15(6-7-17(19)20(18)25)14-8-10-23-11-9-14/h1-13H,(H2,22,26)
InChIKey
ICEIHYHRCJNUTB-UHFFFAOYSA-N
Compound name
4-oxo-1-phenyl-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

341.11642 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.12370 181.4
[M+Na]+ 364.10564 190.3
[M-H]- 340.10914 189.3
[M+NH4]+ 359.15024 191.7
[M+K]+ 380.07958 183.2
[M+H-H2O]+ 324.11368 170.0
[M+HCOO]- 386.11462 201.5
[M+CH3COO]- 400.13027 191.5
[M+Na-2H]- 362.09109 186.8
[M]+ 341.11587 180.4
[M]- 341.11697 180.4
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.