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 168.6
[M+Na]+ 332.06756 179.0
[M-H]- 308.07106 171.5
[M+NH4]+ 327.11216 184.4
[M+K]+ 348.04150 176.0
[M+H-H2O]+ 292.07560 161.8
[M+HCOO]- 354.07654 185.7
[M+CH3COO]- 368.09219 205.7
[M+Na-2H]- 330.05301 168.4
[M]+ 309.07779 177.1
[M]- 309.07889 177.1
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.