CID 34444

29050-86-0

Structural Information

Molecular Formula

C₁₀H₈N₄O₃

SMILES

C1=CC(=CC=C1N=NC2=CC(=O)NC(=O)N2)O

InChI

InChI=1S/C10H8N4O3/c15-7-3-1-6(2-4-7)13-14-8-5-9(16)12-10(17)11-8/h1-5,15H,(H2,11,12,16,17)

InChIKey

WFCXSZSLXQJFDD-UHFFFAOYSA-N

Compound name

6-[(4-hydroxyphenyl)diazenyl]-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 39
References: 31
Patents: 232.05965 Da
Monoisotopic Mass: 0.7
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]+	233.06693	146.5
[M+Na]+	255.04887	156.1
[M-H]-	231.05237	150.4
[M+NH4]+	250.09347	160.4
[M+K]+	271.02281	151.5
[M+H-H2O]+	215.05691	137.7
[M+HCOO]-	277.05785	171.2
[M+CH3COO]-	291.07350	190.0
[M+Na-2H]-	253.03432	155.0
[M]+	232.05910	145.1
[M]-	232.06020	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe