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 154.7
[M+Na]+ 280.06927 166.0
[M-H]- 256.07277 159.5
[M+NH4]+ 275.11387 170.4
[M+K]+ 296.04321 163.3
[M+H-H2O]+ 240.07731 147.1
[M+HCOO]- 302.07825 175.6
[M+CH3COO]- 316.09390 167.8
[M+Na-2H]- 278.05472 158.4
[M]+ 257.07950 159.8
[M]- 257.08060 159.8
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.