CID 71756736

3-(ethoxycarbonyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid

Structural Information

Molecular Formula
C10H9N3O4
SMILES
CCOC(=O)C1=C2N=CC=C(N2N=C1)C(=O)O
InChI
InChI=1S/C10H9N3O4/c1-2-17-10(16)6-5-12-13-7(9(14)15)3-4-11-8(6)13/h3-5H,2H2,1H3,(H,14,15)
InChIKey
WQZHWQNQGATNGH-UHFFFAOYSA-N
Compound name
3-ethoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.05931 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06659 147.6
[M+Na]+ 258.04853 158.0
[M-H]- 234.05203 147.9
[M+NH4]+ 253.09313 163.6
[M+K]+ 274.02247 155.8
[M+H-H2O]+ 218.05657 140.0
[M+HCOO]- 280.05751 167.7
[M+CH3COO]- 294.07316 187.2
[M+Na-2H]- 256.03398 152.7
[M]+ 235.05876 152.3
[M]- 235.05986 152.3
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.