CID 75481068

Methyl 7-chloro-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylate

Structural Information

Molecular Formula
C7H4ClN3O2S
SMILES
COC(=O)C1=C2C(=NS1)C(=NC=N2)Cl
InChI
InChI=1S/C7H4ClN3O2S/c1-13-7(12)5-3-4(11-14-5)6(8)10-2-9-3/h2H,1H3
InChIKey
MNARSWJKTMFKAR-UHFFFAOYSA-N
Compound name
methyl 7-chloro-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.97127 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.97855 141.2
[M+Na]+ 251.96049 154.8
[M-H]- 227.96399 143.5
[M+NH4]+ 247.00509 160.2
[M+K]+ 267.93443 151.0
[M+H-H2O]+ 211.96853 135.2
[M+HCOO]- 273.96947 154.6
[M+CH3COO]- 287.98512 155.2
[M+Na-2H]- 249.94594 145.7
[M]+ 228.97072 149.3
[M]- 228.97182 149.3
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.