CID 135636134

1174879-40-3

Structural Information

Molecular Formula
C11H13N3O3
SMILES
CCN1C=C2C(=CC(=O)NC2=N1)C(=O)OCC
InChI
InChI=1S/C11H13N3O3/c1-3-14-6-8-7(11(16)17-4-2)5-9(15)12-10(8)13-14/h5-6H,3-4H2,1-2H3,(H,12,13,15)
InChIKey
IBCHTHBBPLADMG-UHFFFAOYSA-N
Compound name
ethyl 2-ethyl-6-oxo-7H-pyrazolo[3,4-b]pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.09569 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10297 150.2
[M+Na]+ 258.08491 161.5
[M-H]- 234.08841 150.6
[M+NH4]+ 253.12951 166.7
[M+K]+ 274.05885 157.9
[M+H-H2O]+ 218.09295 142.7
[M+HCOO]- 280.09389 170.7
[M+CH3COO]- 294.10954 188.4
[M+Na-2H]- 256.07036 155.0
[M]+ 235.09514 154.8
[M]- 235.09624 154.8
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.