CID 135928699

1-(4-aminophenyl)-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one

Structural Information

Molecular Formula
C11H9N5O
SMILES
C1=CC(=CC=C1N)N2C3=C(C=N2)C(=O)NC=N3
InChI
InChI=1S/C11H9N5O/c12-7-1-3-8(4-2-7)16-10-9(5-15-16)11(17)14-6-13-10/h1-6H,12H2,(H,13,14,17)
InChIKey
PIVYCBLJCBAEQV-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0807 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08798 147.2
[M+Na]+ 250.06992 162.3
[M+NH4]+ 245.11452 154.1
[M+K]+ 266.04386 157.9
[M-H]- 226.07342 149.4
[M+Na-2H]- 248.05537 155.6
[M]+ 227.08015 149.8
[M]- 227.08125 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.