CID 122164253

1-tert-butyl-6-chloro-4-methoxy-1h-pyrazolo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C10H13ClN4O
SMILES
CC(C)(C)N1C2=C(C=N1)C(=NC(=N2)Cl)OC
InChI
InChI=1S/C10H13ClN4O/c1-10(2,3)15-7-6(5-12-15)8(16-4)14-9(11)13-7/h5H,1-4H3
InChIKey
REHKFMRUFSAGIH-UHFFFAOYSA-N
Compound name
1-tert-butyl-6-chloro-4-methoxypyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.07779 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08507 151.6
[M+Na]+ 263.06701 166.4
[M+NH4]+ 258.11161 158.8
[M+K]+ 279.04095 162.1
[M-H]- 239.07051 151.1
[M+Na-2H]- 261.05246 157.5
[M]+ 240.07724 153.9
[M]- 240.07834 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.