CID 25247596

6-[4-(difluoromethoxy)phenyl]-1-methyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C15H11F2N3O3
SMILES
CN1C2=C(C=N1)C(=CC(=N2)C3=CC=C(C=C3)OC(F)F)C(=O)O
InChI
InChI=1S/C15H11F2N3O3/c1-20-13-11(7-18-20)10(14(21)22)6-12(19-13)8-2-4-9(5-3-8)23-15(16)17/h2-7,15H,1H3,(H,21,22)
InChIKey
FWTVVHYPFWOKCL-UHFFFAOYSA-N
Compound name
6-[4-(difluoromethoxy)phenyl]-1-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.07684 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.08412 168.2
[M+Na]+ 342.06606 179.2
[M-H]- 318.06956 169.4
[M+NH4]+ 337.11066 180.7
[M+K]+ 358.04000 174.2
[M+H-H2O]+ 302.07410 157.5
[M+HCOO]- 364.07504 185.3
[M+CH3COO]- 378.09069 205.1
[M+Na-2H]- 340.05151 170.3
[M]+ 319.07629 170.1
[M]- 319.07739 170.1
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.