CID 57434162

Ethyl 4-chlorothieno[2,3-d]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C9H7ClN2O2S
SMILES
CCOC(=O)C1=CC2=C(S1)N=CN=C2Cl
InChI
InChI=1S/C9H7ClN2O2S/c1-2-14-9(13)6-3-5-7(10)11-4-12-8(5)15-6/h3-4H,2H2,1H3
InChIKey
IKUNLTCFOLEPBG-UHFFFAOYSA-N
Compound name
ethyl 4-chlorothieno[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

241.99167 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.998946 146.5
[M+Na]+ 264.980888 159.3
[M-H]- 240.984394 149.8
[M+NH4]+ 260.025493 166.4
[M+K]+ 280.954828 155.0
[M+H-H2O]+ 224.988930 141.0
[M+HCOO]- 286.989871 160.6
[M+CH3COO]- 301.005521 187.0
[M+Na-2H]- 262.966336 150.1
[M]+ 241.99112142 154.9
[M]- 241.99221858 154.9
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

patents stripe