CID 39870600

Ethyl 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate

Structural Information

Molecular Formula
C10H10ClN3O3
SMILES
CCOC(=O)C1=CNN2C1=NC(=CC2=O)CCl
InChI
InChI=1S/C10H10ClN3O3/c1-2-17-10(16)7-5-12-14-8(15)3-6(4-11)13-9(7)14/h3,5,12H,2,4H2,1H3
InChIKey
IZARJLQSTCNZEO-UHFFFAOYSA-N
Compound name
ethyl 5-(chloromethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.04106 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.04834 150.8
[M+Na]+ 278.03028 163.2
[M-H]- 254.03378 151.1
[M+NH4]+ 273.07488 167.3
[M+K]+ 294.00422 158.2
[M+H-H2O]+ 238.03832 143.8
[M+HCOO]- 300.03926 166.9
[M+CH3COO]- 314.05491 189.2
[M+Na-2H]- 276.01573 155.7
[M]+ 255.04051 156.9
[M]- 255.04161 156.9
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.