CID 371223

20389-11-1

Structural Information

Molecular Formula

C₁₆H₁₁NO₃

SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3O)C(=O)O

InChI

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

InChIKey

CLNACIFBPMMXKX-UHFFFAOYSA-N

Compound name

2-(2-hydroxyphenyl)quinoline-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 265.07388 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]+	266.08116	158.0
[M+Na]+	288.06310	166.7
[M-H]-	264.06660	162.2
[M+NH4]+	283.10770	172.6
[M+K]+	304.03704	161.5
[M+H-H2O]+	248.07114	150.0
[M+HCOO]-	310.07208	176.8
[M+CH3COO]-	324.08773	169.5
[M+Na-2H]-	286.04855	164.0
[M]+	265.07333	157.4
[M]-	265.07443	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe