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[5,4-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	320.084116	168.2
[M+Na]+	342.066058	179.2
[M-H]-	318.069564	169.4
[M+NH4]+	337.110663	180.7
[M+K]+	358.039998	174.2
[M+H-H2O]+	302.074100	157.5
[M+HCOO]-	364.075041	185.3
[M+CH3COO]-	378.090691	205.1
[M+Na-2H]-	340.051506	170.3
[M]+	319.07629142	170.1
[M]-	319.07738858	170.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.