CID 3583710

618427-70-6

Structural Information

Molecular Formula
C16H23N3O2S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)N(CC)CC)SC(=C2C)C
InChI
InChI=1S/C16H23N3O2S2/c1-6-18(7-2)12(20)9-22-16-17-14-13(10(4)11(5)23-14)15(21)19(16)8-3/h6-9H2,1-5H3
InChIKey
XYSYOPXHNGJJFD-UHFFFAOYSA-N
Compound name
N,N-diethyl-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

353.12317 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13045 184.4
[M+Na]+ 376.11239 195.3
[M+NH4]+ 371.15699 191.1
[M+K]+ 392.08633 187.1
[M-H]- 352.11589 185.7
[M+Na-2H]- 374.09784 186.5
[M]+ 353.12262 187.2
[M]- 353.12372 187.2
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.