CID 57969660

4-iodo-5-methyl-1h-pyrazolo[3,4-b]pyridine

Structural Information

Molecular Formula
C7H6IN3
SMILES
CC1=CN=C2C(=C1I)C=NN2
InChI
InChI=1S/C7H6IN3/c1-4-2-9-7-5(6(4)8)3-10-11-7/h2-3H,1H3,(H,9,10,11)
InChIKey
VMWWEASUDFBAME-UHFFFAOYSA-N
Compound name
4-iodo-5-methyl-1H-pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

258.96063 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.96791 134.4
[M+Na]+ 281.94985 141.0
[M+NH4]+ 276.99445 138.5
[M+K]+ 297.92379 139.8
[M-H]- 257.95335 129.0
[M+Na-2H]- 279.93530 128.9
[M]+ 258.96008 132.7
[M]- 258.96118 132.7
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