CID 478720

Schembl10474313

Structural Information

Molecular Formula

C₁₉H₁₉N₃O₂

SMILES

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

InChI

InChI=1S/C19H19N3O2/c1-4-22-10-16(19(20)24)18(23)15-6-5-13(9-17(15)22)14-7-11(2)21-12(3)8-14/h5-10H,4H2,1-3H3,(H2,20,24)

InChIKey

SUMAZHCNXYTDNI-UHFFFAOYSA-N

Compound name

7-(2,6-dimethylpyridin-4-yl)-1-ethyl-4-oxoquinoline-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 321.14774 Da
Monoisotopic Mass: 0.7
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]+	322.15502	178.2
[M+Na]+	344.13696	188.7
[M-H]-	320.14046	183.8
[M+NH4]+	339.18156	190.9
[M+K]+	360.11090	182.8
[M+H-H2O]+	304.14500	168.6
[M+HCOO]-	366.14594	197.9
[M+CH3COO]-	380.16159	215.2
[M+Na-2H]-	342.12241	180.6
[M]+	321.14719	180.3
[M]-	321.14829	180.3

Literature stripe

literature stripe

Patent stripe

patents stripe