CID 935901

577762-90-4

Structural Information

Molecular Formula
C15H20N2O3S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)OC(C)C)SC(=C2C)C
InChI
InChI=1S/C15H20N2O3S2/c1-6-17-14(19)12-9(4)10(5)22-13(12)16-15(17)21-7-11(18)20-8(2)3/h8H,6-7H2,1-5H3
InChIKey
CYIYFVQEKRIACC-UHFFFAOYSA-N
Compound name
propan-2-yl 2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.09152 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09880 180.2
[M+Na]+ 363.08074 191.6
[M+NH4]+ 358.12534 186.7
[M+K]+ 379.05468 184.0
[M-H]- 339.08424 180.4
[M+Na-2H]- 361.06619 181.7
[M]+ 340.09097 182.7
[M]- 340.09207 182.7
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.