CID 16227479

924232-60-0

Structural Information

Molecular Formula

C₁₅H₁₅N₃O₂S

SMILES

CC1=CC=C(S1)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)O

InChI

InChI=1S/C15H15N3O2S/c1-8(2)18-14-11(7-16-18)10(15(19)20)6-12(17-14)13-5-4-9(3)21-13/h4-8H,1-3H3,(H,19,20)

InChIKey

JZBKIDOGVSZETR-UHFFFAOYSA-N

Compound name

6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 301.0885 Da
Monoisotopic Mass: 2.8
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]+	302.095776	168.9
[M+Na]+	324.077718	180.7
[M-H]-	300.081224	173.7
[M+NH4]+	319.122323	185.4
[M+K]+	340.051658	176.2
[M+H-H2O]+	284.085760	162.4
[M+HCOO]-	346.086701	184.2
[M+CH3COO]-	360.102351	181.1
[M+Na-2H]-	322.063166	166.7
[M]+	301.08795142	175.3
[M]-	301.08904858	175.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.