CID 25247516

1-(2-fluorophenyl)-6-(thiophen-2-yl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C17H10FN3O2S
SMILES
C1=CC=C(C(=C1)N2C3=C(C=N2)C(=CC(=N3)C4=CC=CS4)C(=O)O)F
InChI
InChI=1S/C17H10FN3O2S/c18-12-4-1-2-5-14(12)21-16-11(9-19-21)10(17(22)23)8-13(20-16)15-6-3-7-24-15/h1-9H,(H,22,23)
InChIKey
RDWJCUHBJUSARG-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-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

339.0478 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.05508 174.3
[M+Na]+ 362.03702 187.1
[M-H]- 338.04052 181.2
[M+NH4]+ 357.08162 188.8
[M+K]+ 378.01096 180.5
[M+H-H2O]+ 322.04506 166.0
[M+HCOO]- 384.04600 190.5
[M+CH3COO]- 398.06165 186.2
[M+Na-2H]- 360.02247 173.8
[M]+ 339.04725 178.6
[M]- 339.04835 178.6
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.