CID 54679063

Cbmicro_024096

Structural Information

Molecular Formula

C₁₉H₂₁N₃O₃S

SMILES

CCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=NC(=CS3)C)O

InChI

InChI=1S/C19H21N3O3S/c1-3-4-7-10-22-14-9-6-5-8-13(14)16(23)15(18(22)25)17(24)21-19-20-12(2)11-26-19/h5-6,8-9,11,23H,3-4,7,10H2,1-2H3,(H,20,21,24)

InChIKey

LWWRDGNAFIKBSO-UHFFFAOYSA-N

Compound name

4-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-1-pentylquinoline-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 371.13037 Da
Monoisotopic Mass: 4.0
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]+	372.137646	187.1
[M+Na]+	394.119588	197.1
[M-H]-	370.123094	192.1
[M+NH4]+	389.164193	199.8
[M+K]+	410.093528	190.6
[M+H-H2O]+	354.127630	179.0
[M+HCOO]-	416.128571	203.6
[M+CH3COO]-	430.144221	216.5
[M+Na-2H]-	392.105036	187.2
[M]+	371.12982142	194.0
[M]-	371.13091858	194.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.