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 151.4
[M+Na]+ 278.03028 165.0
[M+NH4]+ 273.07488 157.4
[M+K]+ 294.00422 161.2
[M-H]- 254.03378 150.1
[M+Na-2H]- 276.01573 155.7
[M]+ 255.04051 152.9
[M]- 255.04161 152.9
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.