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

166
Patents

269.02762 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.03490 152.5
[M+Na]+ 292.01684 167.6
[M-H]- 268.02034 155.7
[M+NH4]+ 287.06144 170.8
[M+K]+ 307.99078 155.6
[M+H-H2O]+ 252.02488 151.1
[M+HCOO]- 314.02582 170.5
[M+CH3COO]- 328.04147 196.5
[M+Na-2H]- 290.00229 161.0
[M]+ 269.02707 172.8
[M]- 269.02817 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