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]+ 256.07167 154.0
[M+Na]+ 278.05361 164.8
[M-H]- 254.05711 155.3
[M+NH4]+ 273.09821 167.7
[M+K]+ 294.02755 158.3
[M+H-H2O]+ 238.06165 146.0
[M+HCOO]- 300.06259 172.2
[M+CH3COO]- 314.07824 165.4
[M+Na-2H]- 276.03906 159.3
[M]+ 255.06384 153.3
[M]- 255.06494 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.