CID 8593

Cinchophen

Structural Information

Molecular Formula

C₁₆H₁₁NO₂

SMILES

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

InChI

InChI=1S/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19)

InChIKey

YTRMTPPVNRALON-UHFFFAOYSA-N

Compound name

2-phenylquinoline-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 447
References: 4692
Patents: 249.07898 Da
Monoisotopic Mass: 3.4
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]+	250.086256	154.5
[M+Na]+	272.068198	162.9
[M-H]-	248.071704	159.7
[M+NH4]+	267.112803	170.3
[M+K]+	288.042138	157.8
[M+H-H2O]+	232.076240	146.2
[M+HCOO]-	294.077181	174.7
[M+CH3COO]-	308.092831	166.5
[M+Na-2H]-	270.053646	161.7
[M]+	249.07843142	153.9
[M]-	249.07952858	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe