CID 138110044

Methyl 4-chloro-1-methyl-1h-pyrazolo[3,4-d]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C8H7ClN4O2
SMILES
CN1C2=C(C=N1)C(=NC(=N2)C(=O)OC)Cl
InChI
InChI=1S/C8H7ClN4O2/c1-13-7-4(3-10-13)5(9)11-6(12-7)8(14)15-2/h3H,1-2H3
InChIKey
KMHPGESSQJVYRF-UHFFFAOYSA-N
Compound name
methyl 4-chloro-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.02576 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.03304 143.6
[M+Na]+ 249.01498 157.2
[M-H]- 225.01848 144.0
[M+NH4]+ 244.05958 160.7
[M+K]+ 264.98892 153.4
[M+H-H2O]+ 209.02302 135.8
[M+HCOO]- 271.02396 160.0
[M+CH3COO]- 285.03961 187.3
[M+Na-2H]- 247.00043 149.8
[M]+ 226.02521 150.4
[M]- 226.02631 150.4
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.