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[5,4-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]+ 241.085066 153.9
[M+Na]+ 263.067008 167.1
[M-H]- 239.070514 154.3
[M+NH4]+ 258.111613 170.8
[M+K]+ 279.040948 162.8
[M+H-H2O]+ 223.075050 146.2
[M+HCOO]- 285.075991 168.5
[M+CH3COO]- 299.091641 191.6
[M+Na-2H]- 261.052456 160.7
[M]+ 240.07724142 160.7
[M]- 240.07833858 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.