CID 54684068

303093-22-3

Structural Information

Molecular Formula

C₂₁H₂₂N₂O₃

SMILES

CCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=C(C=C(C=C3)C)C)O

InChI

InChI=1S/C21H22N2O3/c1-4-11-23-17-8-6-5-7-15(17)19(24)18(21(23)26)20(25)22-16-10-9-13(2)12-14(16)3/h5-10,12,24H,4,11H2,1-3H3,(H,22,25)

InChIKey

SKSSAVMYONNQNN-UHFFFAOYSA-N

Compound name

N-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 350.16306 Da
Monoisotopic Mass: 4.1
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]+	351.170336	184.6
[M+Na]+	373.152278	193.6
[M-H]-	349.155784	190.4
[M+NH4]+	368.196883	197.0
[M+K]+	389.126218	187.9
[M+H-H2O]+	333.160320	175.5
[M+HCOO]-	395.161261	204.3
[M+CH3COO]-	409.176911	218.2
[M+Na-2H]-	371.137726	186.6
[M]+	350.16251142	187.3
[M]-	350.16360858	187.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.