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 179.9
[M+Na]+ 376.11239 190.5
[M-H]- 352.11589 183.9
[M+NH4]+ 371.15699 195.5
[M+K]+ 392.08633 185.4
[M+H-H2O]+ 336.12043 173.2
[M+HCOO]- 398.12137 191.8
[M+CH3COO]- 412.13702 219.2
[M+Na-2H]- 374.09784 177.2
[M]+ 353.12262 190.7
[M]- 353.12372 190.7
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.