CID 16227658

929974-37-8

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[5,4-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]+ 320.102976 170.9
[M+Na]+ 342.084918 181.2
[M-H]- 318.088424 178.7
[M+NH4]+ 337.129523 183.4
[M+K]+ 358.058858 176.9
[M+H-H2O]+ 302.092960 161.8
[M+HCOO]- 364.093901 191.3
[M+CH3COO]- 378.109551 182.7
[M+Na-2H]- 340.070366 173.9
[M]+ 319.09515142 175.0
[M]- 319.09624858 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.