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 168.9
[M+Na]+ 324.07772 180.7
[M-H]- 300.08122 173.7
[M+NH4]+ 319.12232 185.4
[M+K]+ 340.05166 176.2
[M+H-H2O]+ 284.08576 162.4
[M+HCOO]- 346.08670 184.2
[M+CH3COO]- 360.10235 181.1
[M+Na-2H]- 322.06317 166.7
[M]+ 301.08795 175.3
[M]- 301.08905 175.3
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

No patent data available for this compound.