CID 104676

54023-77-7

Structural Information

Molecular Formula

C₁₇H₁₃NO₃

SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC(=CC=C3)O)O

InChI

InChI=1S/C17H13NO3/c19-14-7-3-6-13(10-14)18-17(21)15-8-11-4-1-2-5-12(11)9-16(15)20/h1-10,19-20H,(H,18,21)

InChIKey

ZLPDIQADHBAPKL-UHFFFAOYSA-N

Compound name

3-hydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 11
Patents: 279.08954 Da
Monoisotopic Mass: 4.2
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]+	280.096816	161.2
[M+Na]+	302.078758	168.7
[M-H]-	278.082264	166.7
[M+NH4]+	297.123363	176.4
[M+K]+	318.052698	163.6
[M+H-H2O]+	262.086800	153.7
[M+HCOO]-	324.087741	182.1
[M+CH3COO]-	338.103391	198.1
[M+Na-2H]-	300.064206	167.2
[M]+	279.08899142	159.8
[M]-	279.09008858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe