CID 487283

4-(5-amino-8-quinolylthio)phenol

Structural Information

Molecular Formula

C₁₅H₁₂N₂OS

SMILES

C1=CC2=C(C=CC(=C2N=C1)SC3=CC=C(C=C3)O)N

InChI

InChI=1S/C15H12N2OS/c16-13-7-8-14(15-12(13)2-1-9-17-15)19-11-5-3-10(18)4-6-11/h1-9,18H,16H2

InChIKey

PCVMXAORWKNGEW-UHFFFAOYSA-N

Compound name

4-(5-aminoquinolin-8-yl)sulfanylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 268.06705 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]+	269.074326	156.8
[M+Na]+	291.056268	166.4
[M-H]-	267.059774	161.9
[M+NH4]+	286.100873	172.6
[M+K]+	307.030208	159.6
[M+H-H2O]+	251.064310	149.3
[M+HCOO]-	313.065251	173.5
[M+CH3COO]-	327.080901	168.5
[M+Na-2H]-	289.041716	162.2
[M]+	268.06650142	157.0
[M]-	268.06759858	157.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.