CID 1536965

69923-95-1

Structural Information

Molecular Formula

C₁₁H₉N₅O

SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)N

InChI

InChI=1S/C11H9N5O/c12-15-7-13-10-9(11(15)17)6-14-16(10)8-4-2-1-3-5-8/h1-7H,12H2

InChIKey

FYLIRLDTHRKSMI-UHFFFAOYSA-N

Compound name

5-amino-1-phenylpyrazolo[3,4-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 227.0807 Da
Monoisotopic Mass: 0.4
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]+	228.08798	146.8
[M+Na]+	250.06992	162.4
[M+NH4]+	245.11452	154.1
[M+K]+	266.04386	157.8
[M-H]-	226.07342	149.5
[M+Na-2H]-	248.05537	155.8
[M]+	227.08015	149.7
[M]-	227.08125	149.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.