CID 135636143

1245808-56-3

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₃

SMILES

CCOC(=O)C1=CC(=O)NC2=C1C=NN2C

InChI

InChI=1S/C10H11N3O3/c1-3-16-10(15)6-4-8(14)12-9-7(6)5-11-13(9)2/h4-5H,3H2,1-2H3,(H,12,14)

InChIKey

DTBSWHQCTPOIAK-UHFFFAOYSA-N

Compound name

ethyl 1-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 221.08005 Da
Monoisotopic Mass: -0.1
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]+	222.087326	145.5
[M+Na]+	244.069268	157.4
[M-H]-	220.072774	146.1
[M+NH4]+	239.113873	162.7
[M+K]+	260.043208	154.0
[M+H-H2O]+	204.077310	138.3
[M+HCOO]-	266.078251	166.4
[M+CH3COO]-	280.093901	185.4
[M+Na-2H]-	242.054716	150.9
[M]+	221.07950142	149.8
[M]-	221.08059858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe