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

literature stripe

Patent stripe

patents stripe