CID 16792498

954251-87-7

Structural Information

Molecular Formula

C₁₄H₁₂N₄O₂

SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C14H12N4O2/c1-2-18-13-11(8-16-18)10(14(19)20)7-12(17-13)9-3-5-15-6-4-9/h3-8H,2H2,1H3,(H,19,20)

InChIKey

UNXCOFLXZAZKNR-UHFFFAOYSA-N

Compound name

1-ethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 268.09604 Da
Monoisotopic Mass: 1.3
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]+	269.103316	160.4
[M+Na]+	291.085258	171.5
[M-H]-	267.088764	162.7
[M+NH4]+	286.129863	173.6
[M+K]+	307.059198	166.1
[M+H-H2O]+	251.093300	150.8
[M+HCOO]-	313.094241	179.4
[M+CH3COO]-	327.109891	172.0
[M+Na-2H]-	289.070706	165.8
[M]+	268.09549142	163.3
[M]-	268.09658858	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.