CID 47002294

3-oxo-6-phenyl-1h,2h,3h-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C13H9N3O3
SMILES
C1=CC=C(C=C1)C2=NC3=C(C(=C2)C(=O)O)C(=O)NN3
InChI
InChI=1S/C13H9N3O3/c17-12-10-8(13(18)19)6-9(14-11(10)15-16-12)7-4-2-1-3-5-7/h1-6H,(H,18,19)(H2,14,15,16,17)
InChIKey
ZJVOHYGGXLWORY-UHFFFAOYSA-N
Compound name
3-oxo-6-phenyl-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06439 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.071666 154.0
[M+Na]+ 278.053608 164.8
[M-H]- 254.057114 155.3
[M+NH4]+ 273.098213 167.7
[M+K]+ 294.027548 158.3
[M+H-H2O]+ 238.061650 146.0
[M+HCOO]- 300.062591 172.2
[M+CH3COO]- 314.078241 165.4
[M+Na-2H]- 276.039056 159.3
[M]+ 255.06384142 153.3
[M]- 255.06493858 153.3
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.