CID 16227716

893645-77-7

Structural Information

Molecular Formula
C13H11N3O2S
SMILES
CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)O)C
InChI
InChI=1S/C13H11N3O2S/c1-7-11-8(13(17)18)6-9(10-4-3-5-19-10)14-12(11)16(2)15-7/h3-6H,1-2H3,(H,17,18)
InChIKey
SFWLLQXTTFBYMQ-UHFFFAOYSA-N
Compound name
1,3-dimethyl-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

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06448 160.6
[M+Na]+ 296.04642 174.1
[M+NH4]+ 291.09102 168.1
[M+K]+ 312.02036 170.0
[M-H]- 272.04992 162.3
[M+Na-2H]- 294.03187 166.0
[M]+ 273.05665 163.4
[M]- 273.05775 163.4
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.