CID 135420365

56741-94-7

Structural Information

Molecular Formula

C₁₀H₉N₃O

SMILES

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

InChI

InChI=1S/C10H9N3O/c11-10-12-8(6-9(14)13-10)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14)

InChIKey

KXYGHDWFGFZJPJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 81
Patents: 187.07455 Da
Monoisotopic Mass: 0.3
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]+	188.08183	138.5
[M+Na]+	210.06377	153.1
[M+NH4]+	205.10837	146.3
[M+K]+	226.03771	146.5
[M-H]-	186.06727	142.0
[M+Na-2H]-	208.04922	148.0
[M]+	187.07400	141.5
[M]-	187.07510	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe