CID 83872447

7-methoxy-1h-pyrazolo[4,3-d]pyrimidine

Structural Information

Molecular Formula
C6H6N4O
SMILES
COC1=NC=NC2=C1NN=C2
InChI
InChI=1S/C6H6N4O/c1-11-6-5-4(2-9-10-5)7-3-8-6/h2-3H,1H3,(H,9,10)
InChIKey
BUFDXOCLKPYWOP-UHFFFAOYSA-N
Compound name
7-methoxy-1H-pyrazolo[4,5-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.05415 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.061426 127.1
[M+Na]+ 173.043368 138.9
[M-H]- 149.046874 125.9
[M+NH4]+ 168.087973 145.4
[M+K]+ 189.017308 135.9
[M+H-H2O]+ 133.051410 119.2
[M+HCOO]- 195.052351 148.2
[M+CH3COO]- 209.068001 140.8
[M+Na-2H]- 171.028816 137.1
[M]+ 150.05360142 129.0
[M]- 150.05469858 129.0
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.