CID 16227479

6-(5-methylthiophen-2-yl)-1-(propan-2-yl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C15H15N3O2S
SMILES
CC1=CC=C(S1)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)O
InChI
InChI=1S/C15H15N3O2S/c1-8(2)18-14-11(7-16-18)10(15(19)20)6-12(17-14)13-5-4-9(3)21-13/h4-8H,1-3H3,(H,19,20)
InChIKey
JZBKIDOGVSZETR-UHFFFAOYSA-N
Compound name
6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0885 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09578 168.8
[M+Na]+ 324.07772 181.5
[M+NH4]+ 319.12232 175.8
[M+K]+ 340.05166 177.8
[M-H]- 300.08122 170.3
[M+Na-2H]- 322.06317 173.4
[M]+ 301.08795 171.4
[M]- 301.08905 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.