CID 13421595

90033-85-5

Structural Information

Molecular Formula

C₁₆H₁₁NO₃

SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)C(=O)O

InChI

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

InChIKey

MDNVIERJIAHIIH-UHFFFAOYSA-N

Compound name

4-oxo-2-phenyl-1H-quinoline-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 265.07388 Da
Monoisotopic Mass: 2.7
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	158.2
[M+Na]+	288.06310	173.9
[M+NH4]+	283.10770	166.0
[M+K]+	304.03704	166.7
[M-H]-	264.06660	161.7
[M+Na-2H]-	286.04855	166.7
[M]+	265.07333	161.5
[M]-	265.07443	161.5

Literature stripe

literature stripe

Patent stripe

patents stripe