CID 10239

Oxycinchophen

Structural Information

Molecular Formula

C₁₆H₁₁NO₃

SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2O)C(=O)O

InChI

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

InChIKey

XAPRFLSJBSXESP-UHFFFAOYSA-N

Compound name

3-hydroxy-2-phenylquinoline-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 11
References: 682
Patents: 265.07388 Da
Monoisotopic Mass: 3.6
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]+	266.081156	158.0
[M+Na]+	288.063098	166.7
[M-H]-	264.066604	162.2
[M+NH4]+	283.107703	172.6
[M+K]+	304.037038	161.5
[M+H-H2O]+	248.071140	150.0
[M+HCOO]-	310.072081	176.8
[M+CH3COO]-	324.087731	169.5
[M+Na-2H]-	286.048546	164.0
[M]+	265.07333142	157.4
[M]-	265.07442858	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe