CID 2754544

2,4,5,6(1h,3h)-pyrimidinetetrone 5-[(4-methoxyphenyl)hydrazone]

Structural Information

Molecular Formula

C₁₁H₁₀N₄O₄

SMILES

COC1=CC=C(C=C1)N=NC2=C(NC(=O)NC2=O)O

InChI

InChI=1S/C11H10N4O4/c1-19-7-4-2-6(3-5-7)14-15-8-9(16)12-11(18)13-10(8)17/h2-5H,1H3,(H3,12,13,16,17,18)

InChIKey

WVYBGEFKWZMDGT-UHFFFAOYSA-N

Compound name

6-hydroxy-5-[(4-methoxyphenyl)diazenyl]-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.0702 Da
Monoisotopic Mass: 0.8
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]+	263.077476	154.0
[M+Na]+	285.059418	163.9
[M-H]-	261.062924	158.1
[M+NH4]+	280.104023	166.9
[M+K]+	301.033358	159.8
[M+H-H2O]+	245.067460	145.0
[M+HCOO]-	307.068401	178.6
[M+CH3COO]-	321.084051	196.6
[M+Na-2H]-	283.044866	161.3
[M]+	262.06965142	154.8
[M]-	262.07074858	154.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.