CID 3054385

Sulfoximine, s,s-di-2-thienyl-n-(2-(4-morpholinyl)ethyl)-

Structural Information

Molecular Formula
C14H18N2O2S3
SMILES
C1COCCN1CCN=S(=O)(C2=CC=CS2)C3=CC=CS3
InChI
InChI=1S/C14H18N2O2S3/c17-21(13-3-1-11-19-13,14-4-2-12-20-14)15-5-6-16-7-9-18-10-8-16/h1-4,11-12H,5-10H2
InChIKey
DWKVRQKMVHXPMV-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethylimino-oxo-dithiophen-2-yl-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

342.05304 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.06032 178.4
[M+Na]+ 365.04226 187.4
[M-H]- 341.04576 188.1
[M+NH4]+ 360.08686 194.1
[M+K]+ 381.01620 182.7
[M+H-H2O]+ 325.05030 173.1
[M+HCOO]- 387.05124 187.8
[M+CH3COO]- 401.06689 189.2
[M+Na-2H]- 363.02771 178.6
[M]+ 342.05249 180.3
[M]- 342.05359 180.3
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

patents stripe