CID 3059927

77494-10-1

Structural Information

Molecular Formula

C₁₃H₁₁N₃O

SMILES

CN1C=CC(=O)N2C1=CC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C13H11N3O/c1-15-8-7-13(17)16-12(15)9-11(14-16)10-5-3-2-4-6-10/h2-9H,1H3

InChIKey

UIZDYVYEZDNKCR-UHFFFAOYSA-N

Compound name

4-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 225.09021 Da
Monoisotopic Mass: 2.1
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]+	226.09749	147.8
[M+Na]+	248.07943	164.9
[M+NH4]+	243.12403	156.3
[M+K]+	264.05337	158.7
[M-H]-	224.08293	151.3
[M+Na-2H]-	246.06488	157.5
[M]+	225.08966	151.3
[M]-	225.09076	151.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.