CID 199830

5087-35-4

Structural Information

Molecular Formula

C₁₅H₁₁N₃O₂

SMILES

C1=CC2=C(C=CC(=C2N=C1)O)N=NC3=CC=C(C=C3)O

InChI

InChI=1S/C15H11N3O2/c19-11-5-3-10(4-6-11)17-18-13-7-8-14(20)15-12(13)2-1-9-16-15/h1-9,19-20H

InChIKey

AVABAQMWVAJPPU-UHFFFAOYSA-N

Compound name

5-[(4-hydroxyphenyl)diazenyl]quinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 265.0851 Da
Monoisotopic Mass: 3.7
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]+	266.09238	156.5
[M+Na]+	288.07432	165.4
[M-H]-	264.07782	163.5
[M+NH4]+	283.11892	172.1
[M+K]+	304.04826	160.9
[M+H-H2O]+	248.08236	147.5
[M+HCOO]-	310.08330	181.7
[M+CH3COO]-	324.09895	169.0
[M+Na-2H]-	286.05977	166.3
[M]+	265.08455	157.1
[M]-	265.08565	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe