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 174.6
[M+Na]+ 363.08074 185.8
[M-H]- 339.08424 177.5
[M+NH4]+ 358.12534 190.3
[M+K]+ 379.05468 180.9
[M+H-H2O]+ 323.08878 168.7
[M+HCOO]- 385.08972 184.7
[M+CH3COO]- 399.10537 211.1
[M+Na-2H]- 361.06619 171.5
[M]+ 340.09097 185.4
[M]- 340.09207 185.4
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.