CID 6481989

2-diethylaminoethyl 8-hydroxyquinoline-7-carboxylate

Structural Information

Molecular Formula

C₁₆H₂₀N₂O₃

SMILES

CCN(CC)CCOC(=O)C1=C(C2=C(C=CC=N2)C=C1)O

InChI

InChI=1S/C16H20N2O3/c1-3-18(4-2)10-11-21-16(20)13-8-7-12-6-5-9-17-14(12)15(13)19/h5-9,19H,3-4,10-11H2,1-2H3

InChIKey

SQTQSHJOBKILOA-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 8-hydroxyquinoline-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 288.1474 Da
Monoisotopic Mass: 3.0
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]+	289.154676	167.5
[M+Na]+	311.136618	173.7
[M-H]-	287.140124	170.3
[M+NH4]+	306.181223	182.5
[M+K]+	327.110558	171.4
[M+H-H2O]+	271.144660	159.2
[M+HCOO]-	333.145601	188.1
[M+CH3COO]-	347.161251	206.0
[M+Na-2H]-	309.122066	171.9
[M]+	288.14685142	171.4
[M]-	288.14794858	171.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.