CID 71445801

Ethyl 2-{7-chloro-1h-pyrazolo[4,3-d]pyrimidin-1-yl}acetate

Structural Information

Molecular Formula
C9H9ClN4O2
SMILES
CCOC(=O)CN1C2=C(C=N1)N=CN=C2Cl
InChI
InChI=1S/C9H9ClN4O2/c1-2-16-7(15)4-14-8-6(3-13-14)11-5-12-9(8)10/h3,5H,2,4H2,1H3
InChIKey
ACRSGQWULZVSLN-UHFFFAOYSA-N
Compound name
ethyl 2-(7-chloropyrazolo[4,3-d]pyrimidin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.0414 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04868 147.9
[M+Na]+ 263.03062 160.1
[M-H]- 239.03412 147.8
[M+NH4]+ 258.07522 164.1
[M+K]+ 279.00456 156.1
[M+H-H2O]+ 223.03866 139.5
[M+HCOO]- 285.03960 164.0
[M+CH3COO]- 299.05525 189.1
[M+Na-2H]- 261.01607 154.3
[M]+ 240.04085 154.7
[M]- 240.04195 154.7
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