CID 16792931

954266-84-3

Structural Information

Molecular Formula
C13H11N3O3
SMILES
CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CO3)C(=O)O
InChI
InChI=1S/C13H11N3O3/c1-2-16-12-9(7-14-16)8(13(17)18)6-10(15-12)11-4-3-5-19-11/h3-7H,2H2,1H3,(H,17,18)
InChIKey
JYMNBUQRGQERJL-UHFFFAOYSA-N
Compound name
1-ethyl-6-(furan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.08005 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08733 154.9
[M+Na]+ 280.06927 168.4
[M+NH4]+ 275.11387 161.4
[M+K]+ 296.04321 167.4
[M-H]- 256.07277 157.1
[M+Na-2H]- 278.05472 160.4
[M]+ 257.07950 157.3
[M]- 257.08060 157.3
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.