CID 135819

Fpp 028

Structural Information

Molecular Formula

C₁₄H₁₃N₃O

SMILES

CCN1C=CC(=O)N2C1=CC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C14H13N3O/c1-2-16-9-8-14(18)17-13(16)10-12(15-17)11-6-4-3-5-7-11/h3-10H,2H2,1H3

InChIKey

JEWOUZIOCRUZPT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 239.10587 Da
Monoisotopic Mass: 2.5
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]+	240.11315	152.4
[M+Na]+	262.09509	169.2
[M+NH4]+	257.13969	160.7
[M+K]+	278.06903	162.8
[M-H]-	238.09859	155.8
[M+Na-2H]-	260.08054	161.8
[M]+	239.10532	155.9
[M]-	239.10642	155.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.