CID 16227451

923919-56-6

Structural Information

Molecular Formula
C13H11N3O2S
SMILES
CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)O
InChI
InChI=1S/C13H11N3O2S/c1-2-16-12-9(7-14-16)8(13(17)18)6-10(15-12)11-4-3-5-19-11/h3-7H,2H2,1H3,(H,17,18)
InChIKey
AWKKEYUBBIRCFI-UHFFFAOYSA-N
Compound name
1-ethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0572 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06448 159.9
[M+Na]+ 296.04642 173.0
[M+NH4]+ 291.09102 167.4
[M+K]+ 312.02036 168.8
[M-H]- 272.04992 161.6
[M+Na-2H]- 294.03187 165.6
[M]+ 273.05665 162.6
[M]- 273.05775 162.6
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.