CID 131465869

Ethyl 5,7-dichloro-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylate

Structural Information

Molecular Formula
C8H5Cl2N3O2S
SMILES
CCOC(=O)C1=C2C(=NS1)C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C8H5Cl2N3O2S/c1-2-15-7(14)5-3-4(13-16-5)6(9)12-8(10)11-3/h2H2,1H3
InChIKey
FZSYZBMAIBJRJO-UHFFFAOYSA-N
Compound name
ethyl 5,7-dichloro-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.94797 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.95525 150.7
[M+Na]+ 299.93719 164.6
[M-H]- 275.94069 152.4
[M+NH4]+ 294.98179 168.3
[M+K]+ 315.91113 159.7
[M+H-H2O]+ 259.94523 145.2
[M+HCOO]- 321.94617 158.5
[M+CH3COO]- 335.96182 163.7
[M+Na-2H]- 297.92264 153.3
[M]+ 276.94742 160.1
[M]- 276.94852 160.1
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.