CID 135926895

1-(2-aminophenyl)-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0807 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.087976 148.0
[M+Na]+ 250.069918 160.2
[M-H]- 226.073424 150.2
[M+NH4]+ 245.114523 162.6
[M+K]+ 266.043858 153.8
[M+H-H2O]+ 210.077960 138.8
[M+HCOO]- 272.078901 169.3
[M+CH3COO]- 286.094551 160.4
[M+Na-2H]- 248.055366 155.8
[M]+ 227.08015142 147.6
[M]- 227.08124858 147.6
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.