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

14
Patents

258.96063 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.967906 128.9
[M+Na]+ 281.949848 133.8
[M-H]- 257.953354 122.3
[M+NH4]+ 276.994453 144.0
[M+K]+ 297.923788 135.9
[M+H-H2O]+ 241.957890 118.6
[M+HCOO]- 303.958831 145.8
[M+CH3COO]- 317.974481 139.0
[M+Na-2H]- 279.935296 126.1
[M]+ 258.96008142 127.3
[M]- 258.96117858 127.3
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