CID 2736380

20481-15-6

Structural Information

Molecular Formula
C11H12ClN3O2
SMILES
CCOC(=O)C1=CN=C2C(=C1Cl)C(=NN2C)C
InChI
InChI=1S/C11H12ClN3O2/c1-4-17-11(16)7-5-13-10-8(9(7)12)6(2)14-15(10)3/h5H,4H2,1-3H3
InChIKey
QJXXEUYFFZWYCX-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

253.0618 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06908 153.0
[M+Na]+ 276.05102 166.3
[M-H]- 252.05452 154.8
[M+NH4]+ 271.09562 170.8
[M+K]+ 292.02496 161.9
[M+H-H2O]+ 236.05906 145.9
[M+HCOO]- 298.06000 169.9
[M+CH3COO]- 312.07565 194.5
[M+Na-2H]- 274.03647 157.0
[M]+ 253.06125 161.0
[M]- 253.06235 161.0
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