CID 2339310

89567-06-6

Structural Information

Molecular Formula
C11H11ClN2O3S
SMILES
CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CCl)C
InChI
InChI=1S/C11H11ClN2O3S/c1-3-17-11(16)8-5(2)7-9(15)13-6(4-12)14-10(7)18-8/h3-4H2,1-2H3,(H,13,14,15)
InChIKey
NDYRHNGDLDUAFF-UHFFFAOYSA-N
Compound name
ethyl 2-(chloromethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

286.01788 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.02516 161.3
[M+Na]+ 309.00710 174.7
[M+NH4]+ 304.05170 168.4
[M+K]+ 324.98104 168.4
[M-H]- 285.01060 161.1
[M+Na-2H]- 306.99255 164.7
[M]+ 286.01733 163.8
[M]- 286.01843 163.8
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