CID 9835579

403848-04-4

Structural Information

Molecular Formula
C12H17NO3S2
SMILES
CCN([C@H]1C[C@@H](S(=O)(=O)C2=C1C=CS2)C)C(=O)C
InChI
InChI=1S/C12H17NO3S2/c1-4-13(9(3)14)11-7-8(2)18(15,16)12-10(11)5-6-17-12/h5-6,8,11H,4,7H2,1-3H3/t8-,11-/m0/s1
InChIKey
PZBSIOMRFDTKLQ-KWQFWETISA-N
Compound name
N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

287.06497 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.07225 162.8
[M+Na]+ 310.05419 171.0
[M+NH4]+ 305.09879 172.1
[M+K]+ 326.02813 162.5
[M-H]- 286.05769 164.1
[M+Na-2H]- 308.03964 166.2
[M]+ 287.06442 165.2
[M]- 287.06552 165.2
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

patents stripe