CID 16641423

937598-82-8

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[5,4-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

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]+	298.118606	168.2
[M+Na]+	320.100548	179.9
[M-H]-	296.104054	172.3
[M+NH4]+	315.145153	182.1
[M+K]+	336.074488	175.1
[M+H-H2O]+	280.108590	159.4
[M+HCOO]-	342.109531	188.0
[M+CH3COO]-	356.125181	203.2
[M+Na-2H]-	318.085996	171.2
[M]+	297.11078142	173.5
[M]-	297.11187858	173.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.