CID 57415872

3-amino-5-bromo-1h-pyrazolo[3,4-b]pyrazine

Structural Information

Molecular Formula
C5H4BrN5
SMILES
C1=NC2=NNC(=C2N=C1Br)N
InChI
InChI=1S/C5H4BrN5/c6-2-1-8-5-3(9-2)4(7)10-11-5/h1H,(H3,7,8,10,11)
InChIKey
VDDJIDGFTDEJFJ-UHFFFAOYSA-N
Compound name
5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

212.96501 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.972286 131.2
[M+Na]+ 235.954228 146.3
[M-H]- 211.957734 133.0
[M+NH4]+ 230.998833 150.5
[M+K]+ 251.928168 134.0
[M+H-H2O]+ 195.962270 129.9
[M+HCOO]- 257.963211 150.8
[M+CH3COO]- 271.978861 146.3
[M+Na-2H]- 233.939676 141.7
[M]+ 212.96446142 148.8
[M]- 212.96555858 148.8
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