CID 83360

13345-09-0

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

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

InChI

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

InChIKey

NCSMAVULYUCSMB-UHFFFAOYSA-N

Compound name

6-phenyl-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 75
Patents: 188.05858 Da
Monoisotopic Mass: 0.5
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]+	189.065856	137.0
[M+Na]+	211.047798	146.9
[M-H]-	187.051304	139.1
[M+NH4]+	206.092403	152.6
[M+K]+	227.021738	141.6
[M+H-H2O]+	171.055840	129.4
[M+HCOO]-	233.056781	157.8
[M+CH3COO]-	247.072431	149.7
[M+Na-2H]-	209.033246	144.9
[M]+	188.05803142	134.2
[M]-	188.05912858	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe