CID 24864305

1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C9H13N5
SMILES
CC(C)(C)N1C2=NC=NC(=C2C=N1)N
InChI
InChI=1S/C9H13N5/c1-9(2,3)14-8-6(4-13-14)7(10)11-5-12-8/h4-5H,1-3H3,(H2,10,11,12)
InChIKey
VAJUWSKUVHLSQA-UHFFFAOYSA-N
Compound name
1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

75
Patents

191.1171 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.12438 144.5
[M+Na]+ 214.10632 156.0
[M-H]- 190.10982 144.5
[M+NH4]+ 209.15092 161.8
[M+K]+ 230.08026 152.5
[M+H-H2O]+ 174.11436 136.6
[M+HCOO]- 236.11530 164.6
[M+CH3COO]- 250.13095 185.8
[M+Na-2H]- 212.09177 152.7
[M]+ 191.11655 146.0
[M]- 191.11765 146.0
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.