CID 54683986

184536-27-4

Structural Information

Molecular Formula

C₁₆H₂₀N₂O₃

SMILES

CCCCCCC(=O)NC1=C(C2=CC=CC=C2NC1=O)O

InChI

InChI=1S/C16H20N2O3/c1-2-3-4-5-10-13(19)18-14-15(20)11-8-6-7-9-12(11)17-16(14)21/h6-9H,2-5,10H2,1H3,(H,18,19)(H2,17,20,21)

InChIKey

TWSNQWIBRZVNRU-UHFFFAOYSA-N

Compound name

N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 288.1474 Da
Monoisotopic Mass: 2.5
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]+	289.154676	166.9
[M+Na]+	311.136618	173.8
[M-H]-	287.140124	167.3
[M+NH4]+	306.181223	180.9
[M+K]+	327.110558	168.6
[M+H-H2O]+	271.144660	159.4
[M+HCOO]-	333.145601	185.6
[M+CH3COO]-	347.161251	201.0
[M+Na-2H]-	309.122066	170.9
[M]+	288.14685142	167.5
[M]-	288.14794858	167.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.