CID 1561

Hqno

Structural Information

Molecular Formula

C₁₆H₂₁NO₂

SMILES

CCCCCCCC1=CC(=O)C2=CC=CC=C2N1O

InChI

InChI=1S/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,19H,2-6,9H2,1H3

InChIKey

ICTVCUOZYWNYHM-UHFFFAOYSA-N

Compound name

2-heptyl-1-hydroxyquinolin-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 125
References: 583
Patents: 259.15723 Da
Monoisotopic Mass: 4.5
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]+	260.16451	161.0
[M+Na]+	282.14645	175.1
[M+NH4]+	277.19105	168.8
[M+K]+	298.12039	166.7
[M-H]-	258.14995	162.9
[M+Na-2H]-	280.13190	166.7
[M]+	259.15668	163.6
[M]-	259.15778	163.6

Literature stripe

literature stripe

Patent stripe

patents stripe