CID 2816397

Ethyl 7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

Structural Information

Molecular Formula
C10H11N3O3
SMILES
CCOC(=O)C1=CNN2C1=NC(=CC2=O)C
InChI
InChI=1S/C10H11N3O3/c1-3-16-10(15)7-5-11-13-8(14)4-6(2)12-9(7)13/h4-5,11H,3H2,1-2H3
InChIKey
OSNRZZJSYFZSBR-UHFFFAOYSA-N
Compound name
ethyl 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

34
Patents

221.08005 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.087326 145.5
[M+Na]+ 244.069268 157.4
[M-H]- 220.072774 146.1
[M+NH4]+ 239.113873 162.7
[M+K]+ 260.043208 154.0
[M+H-H2O]+ 204.077310 138.3
[M+HCOO]- 266.078251 166.4
[M+CH3COO]- 280.093901 185.4
[M+Na-2H]- 242.054716 150.9
[M]+ 221.07950142 149.8
[M]- 221.08059858 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe