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	147.9
[M+Na]+	248.07943	160.5
[M-H]-	224.08293	152.9
[M+NH4]+	243.12403	165.2
[M+K]+	264.05337	155.2
[M+H-H2O]+	208.08747	139.0
[M+HCOO]-	270.08841	171.0
[M+CH3COO]-	284.10406	161.7
[M+Na-2H]-	246.06488	155.4
[M]+	225.08966	151.0
[M]-	225.09076	151.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.