CID 478673

Chembl40538

Structural Information

Molecular Formula

C₁₇H₁₅N₃O₂

SMILES

CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)N

InChI

InChI=1S/C17H15N3O2/c1-2-20-10-14(17(18)22)16(21)13-4-3-12(9-15(13)20)11-5-7-19-8-6-11/h3-10H,2H2,1H3,(H2,18,22)

InChIKey

YTCZSNOKHCBSNY-UHFFFAOYSA-N

Compound name

1-ethyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 293.11642 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]+	294.12370	168.3
[M+Na]+	316.10564	177.9
[M-H]-	292.10914	173.4
[M+NH4]+	311.15024	181.5
[M+K]+	332.07958	172.2
[M+H-H2O]+	276.11368	158.7
[M+HCOO]-	338.11462	188.8
[M+CH3COO]-	352.13027	179.5
[M+Na-2H]-	314.09109	173.4
[M]+	293.11587	168.8
[M]-	293.11697	168.8

Literature stripe

literature stripe

Patent stripe

patents stripe