CID 86680317

Ethyl 6-bromo-3-methyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylate

Structural Information

Molecular Formula
C10H10BrN3O2
SMILES
CCOC(=O)C1=CC(=NC2=NNC(=C12)C)Br
InChI
InChI=1S/C10H10BrN3O2/c1-3-16-10(15)6-4-7(11)12-9-8(6)5(2)13-14-9/h4H,3H2,1-2H3,(H,12,13,14)
InChIKey
VSQRAULZZFPOEY-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

282.99564 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.00292 151.8
[M+Na]+ 305.98486 166.2
[M-H]- 281.98836 155.1
[M+NH4]+ 301.02946 170.4
[M+K]+ 321.95880 154.6
[M+H-H2O]+ 265.99290 150.9
[M+HCOO]- 327.99384 170.1
[M+CH3COO]- 342.00949 193.7
[M+Na-2H]- 303.97031 158.3
[M]+ 282.99509 173.8
[M]- 282.99619 173.8
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