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 153.9
[M+Na]+ 263.06701 167.1
[M-H]- 239.07051 154.3
[M+NH4]+ 258.11161 170.8
[M+K]+ 279.04095 162.8
[M+H-H2O]+ 223.07505 146.2
[M+HCOO]- 285.07599 168.5
[M+CH3COO]- 299.09164 191.6
[M+Na-2H]- 261.05246 160.7
[M]+ 240.07724 160.7
[M]- 240.07834 160.7
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.