CID 114128

Oxyquinoline salicylate ester

Structural Information

Molecular Formula

C₁₆H₁₁NO₃

SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC=CC3=C2N=CC=C3)O

InChI

InChI=1S/C16H11NO3/c18-13-8-2-1-7-12(13)16(19)20-14-9-3-5-11-6-4-10-17-15(11)14/h1-10,18H

InChIKey

CLIMZDIZFXRPCR-UHFFFAOYSA-N

Compound name

quinolin-8-yl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 265.07388 Da
Monoisotopic Mass: 3.9
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]+	266.08116	157.9
[M+Na]+	288.06310	166.2
[M-H]-	264.06660	163.1
[M+NH4]+	283.10770	173.0
[M+K]+	304.03704	161.8
[M+H-H2O]+	248.07114	149.3
[M+HCOO]-	310.07208	178.3
[M+CH3COO]-	324.08773	169.7
[M+Na-2H]-	286.04855	165.1
[M]+	265.07333	158.6
[M]-	265.07443	158.6

Literature stripe

literature stripe

Patent stripe

patents stripe