CID 19616716

937598-80-6

Structural Information

Molecular Formula
C15H13N3O3
SMILES
CN1C2=C(C=N1)C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)O
InChI
InChI=1S/C15H13N3O3/c1-18-14-12(8-16-18)11(15(19)20)7-13(17-14)9-3-5-10(21-2)6-4-9/h3-8H,1-2H3,(H,19,20)
InChIKey
OFUQPGYWBQOQJN-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)-1-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0957 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10298 163.3
[M+Na]+ 306.08492 174.6
[M-H]- 282.08842 167.2
[M+NH4]+ 301.12952 177.5
[M+K]+ 322.05886 170.0
[M+H-H2O]+ 266.09296 154.4
[M+HCOO]- 328.09390 183.5
[M+CH3COO]- 342.10955 175.4
[M+Na-2H]- 304.07037 167.6
[M]+ 283.09515 167.9
[M]- 283.09625 167.9
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.