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

5
Patents

241.99167 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.99895 146.5
[M+Na]+ 264.98089 159.3
[M-H]- 240.98439 149.8
[M+NH4]+ 260.02549 166.4
[M+K]+ 280.95483 155.0
[M+H-H2O]+ 224.98893 141.0
[M+HCOO]- 286.98987 160.6
[M+CH3COO]- 301.00552 187.0
[M+Na-2H]- 262.96634 150.1
[M]+ 241.99112 154.9
[M]- 241.99222 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