CID 93572

1147-56-4

Structural Information

Molecular Formula

C₁₃H₉N₃OS

SMILES

C1=CC=C2C(=C1)C=CC(=C2N=NC3=NC=CS3)O

InChI

InChI=1S/C13H9N3OS/c17-11-6-5-9-3-1-2-4-10(9)12(11)15-16-13-14-7-8-18-13/h1-8,17H

InChIKey

IOMXCGDXEUDZAK-UHFFFAOYSA-N

Compound name

1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 28
References: 114
Patents: 255.04663 Da
Monoisotopic Mass: 4.0
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]+	256.05391	152.7
[M+Na]+	278.03585	167.4
[M+NH4]+	273.08045	162.6
[M+K]+	294.00979	158.9
[M-H]-	254.03935	159.0
[M+Na-2H]-	276.02130	163.0
[M]+	255.04608	157.1
[M]-	255.04718	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe