CID 2736267

439109-76-9

Structural Information

Molecular Formula
C10H11N3O3
SMILES
CC1=NN(C2=NC=C(C(=C12)OC)C(=O)O)C
InChI
InChI=1S/C10H11N3O3/c1-5-7-8(16-3)6(10(14)15)4-11-9(7)13(2)12-5/h4H,1-3H3,(H,14,15)
InChIKey
FGSLAFUKFLYMRQ-UHFFFAOYSA-N
Compound name
4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

221.08005 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.08733 145.9
[M+Na]+ 244.06927 158.3
[M-H]- 220.07277 146.9
[M+NH4]+ 239.11387 163.3
[M+K]+ 260.04321 155.6
[M+H-H2O]+ 204.07731 138.9
[M+HCOO]- 266.07825 166.6
[M+CH3COO]- 280.09390 188.1
[M+Na-2H]- 242.05472 150.6
[M]+ 221.07950 151.4
[M]- 221.08060 151.4
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