CID 51341934

6-amino-3-bromo-4-chloropyrazolo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C5H3BrClN5
SMILES
C12=C(NN=C1N=C(N=C2Cl)N)Br
InChI
InChI=1S/C5H3BrClN5/c6-2-1-3(7)9-5(8)10-4(1)12-11-2/h(H3,8,9,10,11,12)
InChIKey
QOWUSMIVHAPTKO-UHFFFAOYSA-N
Compound name
3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

246.92604 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.93332 136.1
[M+Na]+ 269.91526 152.8
[M-H]- 245.91876 137.9
[M+NH4]+ 264.95986 155.2
[M+K]+ 285.88920 138.9
[M+H-H2O]+ 229.92330 135.2
[M+HCOO]- 291.92424 151.1
[M+CH3COO]- 305.93989 151.1
[M+Na-2H]- 267.90071 145.4
[M]+ 246.92549 155.6
[M]- 246.92659 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