CID 16227658

1-(furan-2-ylmethyl)-6-phenyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C18H13N3O3
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=NN3CC4=CC=CO4)C(=C2)C(=O)O
InChI
InChI=1S/C18H13N3O3/c22-18(23)14-9-16(12-5-2-1-3-6-12)20-17-15(14)10-19-21(17)11-13-7-4-8-24-13/h1-10H,11H2,(H,22,23)
InChIKey
CEGALBYAHSRKPS-UHFFFAOYSA-N
Compound name
1-(furan-2-ylmethyl)-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.0957 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10298 170.9
[M+Na]+ 342.08492 181.2
[M-H]- 318.08842 178.7
[M+NH4]+ 337.12952 183.4
[M+K]+ 358.05886 176.9
[M+H-H2O]+ 302.09296 161.8
[M+HCOO]- 364.09390 191.3
[M+CH3COO]- 378.10955 182.7
[M+Na-2H]- 340.07037 173.9
[M]+ 319.09515 175.0
[M]- 319.09625 175.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.