CID 12778934

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

Structural Information

Molecular Formula
C6H6BrN5
SMILES
CN1C2=NC=NC(=C2C(=N1)Br)N
InChI
InChI=1S/C6H6BrN5/c1-12-6-3(4(7)11-12)5(8)9-2-10-6/h2H,1H3,(H2,8,9,10)
InChIKey
DHFYKLULHRGVSL-UHFFFAOYSA-N
Compound name
3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

226.98067 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.98795 135.6
[M+Na]+ 249.96989 151.6
[M-H]- 225.97339 138.9
[M+NH4]+ 245.01449 155.3
[M+K]+ 265.94383 139.9
[M+H-H2O]+ 209.97793 134.2
[M+HCOO]- 271.97887 156.2
[M+CH3COO]- 285.99452 151.2
[M+Na-2H]- 247.95534 145.2
[M]+ 226.98012 155.6
[M]- 226.98122 155.6
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