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[3,4-b]pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.08005 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.08733 146.6
[M+Na]+ 244.06927 159.3
[M+NH4]+ 239.11387 152.3
[M+K]+ 260.04321 156.5
[M-H]- 220.07277 145.2
[M+Na-2H]- 242.05472 150.8
[M]+ 221.07950 147.7
[M]- 221.08060 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.