CID 16641423

6-(4-methoxyphenyl)-1,3-dimethyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C16H15N3O3
SMILES
CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)O)C
InChI
InChI=1S/C16H15N3O3/c1-9-14-12(16(20)21)8-13(17-15(14)19(2)18-9)10-4-6-11(22-3)7-5-10/h4-8H,1-3H3,(H,20,21)
InChIKey
PCYQGPIZKCGPCX-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11133 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 168.4
[M+Na]+ 320.10055 183.7
[M+NH4]+ 315.14515 174.8
[M+K]+ 336.07449 179.5
[M-H]- 296.10405 170.3
[M+Na-2H]- 318.08600 175.0
[M]+ 297.11078 171.1
[M]- 297.11188 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.