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]+ 192.124376 144.5
[M+Na]+ 214.106318 156.0
[M-H]- 190.109824 144.5
[M+NH4]+ 209.150923 161.8
[M+K]+ 230.080258 152.5
[M+H-H2O]+ 174.114360 136.6
[M+HCOO]- 236.115301 164.6
[M+CH3COO]- 250.130951 185.8
[M+Na-2H]- 212.091766 152.7
[M]+ 191.11655142 146.0
[M]- 191.11764858 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

literature stripe

Patent stripe

patents stripe