CID 22674446

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

Structural Information

Molecular Formula
C9H7ClN2O2S
SMILES
CCOC(=O)C1=NC2=C(C(=N1)Cl)SC=C2
InChI
InChI=1S/C9H7ClN2O2S/c1-2-14-9(13)8-11-5-3-4-15-6(5)7(10)12-8/h3-4H,2H2,1H3
InChIKey
YBFVHUWXKQPWSX-UHFFFAOYSA-N
Compound name
ethyl 4-chlorothieno[3,2-d]pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

241.99167 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.99895 148.2
[M+Na]+ 264.98089 162.3
[M+NH4]+ 260.02549 156.8
[M+K]+ 280.95483 155.3
[M-H]- 240.98439 149.2
[M+Na-2H]- 262.96634 153.8
[M]+ 241.99112 151.2
[M]- 241.99222 151.2
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