CID 52908216

Methyl 2-{4-chloro-1h-pyrazolo[3,4-d]pyrimidin-1-yl}acetate

Structural Information

Molecular Formula
C8H7ClN4O2
SMILES
COC(=O)CN1C2=C(C=N1)C(=NC=N2)Cl
InChI
InChI=1S/C8H7ClN4O2/c1-15-6(14)3-13-8-5(2-12-13)7(9)10-4-11-8/h2,4H,3H2,1H3
InChIKey
DXGYHPGWRMBPBX-UHFFFAOYSA-N
Compound name
methyl 2-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.02576 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.03304 143.4
[M+Na]+ 249.01498 157.8
[M+NH4]+ 244.05958 150.2
[M+K]+ 264.98892 153.9
[M-H]- 225.01848 142.5
[M+Na-2H]- 247.00043 149.3
[M]+ 226.02521 145.3
[M]- 226.02631 145.3
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.