CID 58597145

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

Structural Information

Molecular Formula
C9H12BrN5
SMILES
CC(C)(C)N1C2=NC=NC(=C2C(=N1)Br)N
InChI
InChI=1S/C9H12BrN5/c1-9(2,3)15-8-5(6(10)14-15)7(11)12-4-13-8/h4H,1-3H3,(H2,11,12,13)
InChIKey
SOSYGGKAIVNKLX-UHFFFAOYSA-N
Compound name
3-bromo-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

269.02762 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.034896 152.5
[M+Na]+ 292.016838 167.6
[M-H]- 268.020344 155.7
[M+NH4]+ 287.061443 170.8
[M+K]+ 307.990778 155.6
[M+H-H2O]+ 252.024880 151.1
[M+HCOO]- 314.025821 170.5
[M+CH3COO]- 328.041471 196.5
[M+Na-2H]- 290.002286 161.0
[M]+ 269.02707142 172.8
[M]- 269.02816858 172.8
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

patents stripe