CID 865442

335399-44-5

Structural Information

Molecular Formula
C12H15N3O2S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)N)SC(=C2C)C
InChI
InChI=1S/C12H15N3O2S2/c1-4-15-11(17)9-6(2)7(3)19-10(9)14-12(15)18-5-8(13)16/h4-5H2,1-3H3,(H2,13,16)
InChIKey
TWZHKLKACMBILQ-UHFFFAOYSA-N
Compound name
2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.06058 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06786 167.6
[M+Na]+ 320.04980 178.9
[M+NH4]+ 315.09440 174.6
[M+K]+ 336.02374 171.3
[M-H]- 296.05330 168.6
[M+Na-2H]- 318.03525 169.8
[M]+ 297.06003 170.3
[M]- 297.06113 170.3
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.