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	152.5
[M+Na]+	262.09509	164.6
[M-H]-	238.09859	157.3
[M+NH4]+	257.13969	169.3
[M+K]+	278.06903	159.2
[M+H-H2O]+	222.10313	143.4
[M+HCOO]-	284.10407	175.3
[M+CH3COO]-	298.11972	165.9
[M+Na-2H]-	260.08054	159.5
[M]+	239.10532	156.0
[M]-	239.10642	156.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.