CID 10491120

30720-25-3

Structural Information

Molecular Formula
C11H12ClN3O2
SMILES
CCN1C2=NC=C(C(=C2C=N1)Cl)C(=O)OCC
InChI
InChI=1S/C11H12ClN3O2/c1-3-15-10-7(6-14-15)9(12)8(5-13-10)11(16)17-4-2/h5-6H,3-4H2,1-2H3
InChIKey
RCQMGWFLFNPCJC-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

253.0618 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06908 152.8
[M+Na]+ 276.05102 167.2
[M+NH4]+ 271.09562 159.9
[M+K]+ 292.02496 162.5
[M-H]- 252.05452 152.8
[M+Na-2H]- 274.03647 158.1
[M]+ 253.06125 155.0
[M]- 253.06235 155.0
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

patents stripe