CID 24693616

5-bromo-1-ethyl-1h-pyrazolo[3,4-b]pyridine

Structural Information

Molecular Formula
C8H8BrN3
SMILES
CCN1C2=NC=C(C=C2C=N1)Br
InChI
InChI=1S/C8H8BrN3/c1-2-12-8-6(4-11-12)3-7(9)5-10-8/h3-5H,2H2,1H3
InChIKey
FYPGAFJOOQMJBF-UHFFFAOYSA-N
Compound name
5-bromo-1-ethylpyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

224.99016 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.99744 143.1
[M+Na]+ 247.97938 148.2
[M+NH4]+ 243.02398 148.0
[M+K]+ 263.95332 148.7
[M-H]- 223.98288 142.8
[M+Na-2H]- 245.96483 146.8
[M]+ 224.98961 142.6
[M]- 224.99071 142.6
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