CID 241011

2-phenylpyrimidine-4,6-diol

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

C1=CC=C(C=C1)C2=NC(=CC(=O)N2)O

InChI

InChI=1S/C10H8N2O2/c13-8-6-9(14)12-10(11-8)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)

InChIKey

WTDXDRUHQKVYKO-UHFFFAOYSA-N

Compound name

4-hydroxy-2-phenyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 183
Patents: 188.05858 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]+	189.06586	137.6
[M+Na]+	211.04780	147.3
[M-H]-	187.05130	139.7
[M+NH4]+	206.09240	153.2
[M+K]+	227.02174	142.5
[M+H-H2O]+	171.05584	129.9
[M+HCOO]-	233.05678	158.3
[M+CH3COO]-	247.07243	150.3
[M+Na-2H]-	209.03325	145.6
[M]+	188.05803	135.5
[M]-	188.05913	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe