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 168.2
[M+Na]+ 320.10055 179.9
[M-H]- 296.10405 172.3
[M+NH4]+ 315.14515 182.1
[M+K]+ 336.07449 175.1
[M+H-H2O]+ 280.10859 159.4
[M+HCOO]- 342.10953 188.0
[M+CH3COO]- 356.12518 203.2
[M+Na-2H]- 318.08600 171.2
[M]+ 297.11078 173.5
[M]- 297.11188 173.5
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.