CID 76847052

6-bromo-1h-pyrazolo(3,4-d)pyrimidine

Structural Information

Molecular Formula
C5H3BrN4
SMILES
C1=C2C=NNC2=NC(=N1)Br
InChI
InChI=1S/C5H3BrN4/c6-5-7-1-3-2-8-10-4(3)9-5/h1-2H,(H,7,8,9,10)
InChIKey
NXLBVGPTPLENGR-UHFFFAOYSA-N
Compound name
6-bromo-1H-pyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

197.95412 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.96140 135.6
[M+Na]+ 220.94334 140.2
[M+NH4]+ 215.98794 139.9
[M+K]+ 236.91728 141.7
[M-H]- 196.94684 134.2
[M+Na-2H]- 218.92879 139.3
[M]+ 197.95357 134.6
[M]- 197.95467 134.6
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