CID 318190

Nsc253520

Structural Information

Molecular Formula

C₁₆H₁₁NO₄

SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C2O)C(=O)C(=O)O

InChI

InChI=1S/C16H11NO4/c18-14(16(20)21)13-11-8-4-5-9-12(11)17(15(13)19)10-6-2-1-3-7-10/h1-9,19H,(H,20,21)

InChIKey

QVUMCQUKBPQVPI-UHFFFAOYSA-N

Compound name

2-(2-hydroxy-1-phenylindol-3-yl)-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 281.06882 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]+	282.076096	160.5
[M+Na]+	304.058038	169.9
[M-H]-	280.061544	165.5
[M+NH4]+	299.102643	176.3
[M+K]+	320.031978	165.3
[M+H-H2O]+	264.066080	153.4
[M+HCOO]-	326.067021	181.0
[M+CH3COO]-	340.082671	195.1
[M+Na-2H]-	302.043486	163.7
[M]+	281.06827142	162.4
[M]-	281.06936858	162.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.