CID 1536965

5-amino-1-phenyl-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one

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[5,4-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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.087976 147.8
[M+Na]+ 250.069918 160.3
[M-H]- 226.073424 151.3
[M+NH4]+ 245.114523 163.0
[M+K]+ 266.043858 154.8
[M+H-H2O]+ 210.077960 138.2
[M+HCOO]- 272.078901 170.6
[M+CH3COO]- 286.094551 160.8
[M+Na-2H]- 248.055366 156.0
[M]+ 227.08015142 149.1
[M]- 227.08124858 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.