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[5,4-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]+ 227.033036 143.6
[M+Na]+ 249.014978 157.2
[M-H]- 225.018484 144.0
[M+NH4]+ 244.059583 160.7
[M+K]+ 264.988918 153.4
[M+H-H2O]+ 209.023020 135.8
[M+HCOO]- 271.023961 160.0
[M+CH3COO]- 285.039611 187.3
[M+Na-2H]- 247.000426 149.8
[M]+ 226.02521142 150.4
[M]- 226.02630858 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.