CID 16227715

893645-73-3

Structural Information

Molecular Formula
C13H11N3O3
SMILES
CC1=NN(C2=C1C(=CC(=N2)C3=CC=CO3)C(=O)O)C
InChI
InChI=1S/C13H11N3O3/c1-7-11-8(13(17)18)6-9(10-4-3-5-19-10)14-12(11)16(2)15-7/h3-6H,1-2H3,(H,17,18)
InChIKey
SPJRYTCPPQOHCN-UHFFFAOYSA-N
Compound name
6-(furan-2-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

257.08005 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08733 155.1
[M+Na]+ 280.06927 167.3
[M-H]- 256.07277 160.3
[M+NH4]+ 275.11387 171.1
[M+K]+ 296.04321 164.6
[M+H-H2O]+ 240.07731 147.8
[M+HCOO]- 302.07825 176.0
[M+CH3COO]- 316.09390 168.5
[M+Na-2H]- 278.05472 158.0
[M]+ 257.07950 160.6
[M]- 257.08060 160.6
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

patents stripe