CID 16227349

Ethyl 4-amino-2-(2-methoxy-2-oxoethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C13H15N3O4S
SMILES
CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC(=O)OC)N)C
InChI
InChI=1S/C13H15N3O4S/c1-4-20-13(18)10-6(2)9-11(14)15-7(5-8(17)19-3)16-12(9)21-10/h4-5H2,1-3H3,(H2,14,15,16)
InChIKey
BPVUZMGILDCEJZ-UHFFFAOYSA-N
Compound name
ethyl 4-amino-2-(2-methoxy-2-oxoethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.07834 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.08562 170.4
[M+Na]+ 332.06756 180.6
[M+NH4]+ 327.11216 175.8
[M+K]+ 348.04150 176.6
[M-H]- 308.07106 169.9
[M+Na-2H]- 330.05301 172.4
[M]+ 309.07779 171.8
[M]- 309.07889 171.8
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

No patent data available for this compound.