CID 478695

Chembl40398

Structural Information

Molecular Formula

C₂₀H₁₄N₄O₂

SMILES

C1=CC2=C(C=C1C3=CC=NC=C3)N(C=C(C2=O)C(=O)N)C4=CC=NC=C4

InChI

InChI=1S/C20H14N4O2/c21-20(26)17-12-24(15-5-9-23-10-6-15)18-11-14(1-2-16(18)19(17)25)13-3-7-22-8-4-13/h1-12H,(H2,21,26)

InChIKey

PMBWPLASBHIUPW-UHFFFAOYSA-N

Compound name

4-oxo-1,7-dipyridin-4-ylquinoline-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 342.11166 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	343.11894	181.8
[M+Na]+	365.10088	191.1
[M-H]-	341.10438	188.4
[M+NH4]+	360.14548	190.7
[M+K]+	381.07482	183.8
[M+H-H2O]+	325.10892	169.8
[M+HCOO]-	387.10986	200.8
[M+CH3COO]-	401.12551	191.5
[M+Na-2H]-	363.08633	187.8
[M]+	342.11111	180.9
[M]-	342.11221	180.9

Literature stripe

literature stripe

Patent stripe

patents stripe