CID 16227651

929974-29-8

Structural Information

Molecular Formula
C17H12N4O3
SMILES
C1=CC(=CN=C1)C2=NC3=C(C=NN3CC4=CC=CO4)C(=C2)C(=O)O
InChI
InChI=1S/C17H12N4O3/c22-17(23)13-7-15(11-3-1-5-18-8-11)20-16-14(13)9-19-21(16)10-12-4-2-6-24-12/h1-9H,10H2,(H,22,23)
InChIKey
BBJCDSQMEHEMLJ-UHFFFAOYSA-N
Compound name
1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.09094 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09822 170.8
[M+Na]+ 343.08016 186.2
[M+NH4]+ 338.12476 176.9
[M+K]+ 359.05410 184.2
[M-H]- 319.08366 175.1
[M+Na-2H]- 341.06561 178.9
[M]+ 320.09039 174.2
[M]- 320.09149 174.2
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.