CID 135403816

3h-pyrazolo[4,3-d]pyrimidin-7-ol

Structural Information

Molecular Formula
C5H4N4O
SMILES
C1C2=C(C(=O)NC=N2)N=N1
InChI
InChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h2H,1H2,(H,6,7,10)
InChIKey
OGCXIHWGXUQTCQ-UHFFFAOYSA-N
Compound name
3,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

136.03851 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.04579 123.5
[M+Na]+ 159.02773 135.0
[M-H]- 135.03123 122.1
[M+NH4]+ 154.07233 142.2
[M+K]+ 175.00167 131.9
[M+H-H2O]+ 119.03577 115.7
[M+HCOO]- 181.03671 143.7
[M+CH3COO]- 195.05236 137.1
[M+Na-2H]- 157.01318 132.9
[M]+ 136.03796 122.9
[M]- 136.03906 122.9
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

patents stripe