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

5
Patents

342.05304 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.060316 178.4
[M+Na]+ 365.042258 187.4
[M-H]- 341.045764 188.1
[M+NH4]+ 360.086863 194.1
[M+K]+ 381.016198 182.7
[M+H-H2O]+ 325.050300 173.1
[M+HCOO]- 387.051241 187.8
[M+CH3COO]- 401.066891 189.2
[M+Na-2H]- 363.027706 178.6
[M]+ 342.05249142 180.3
[M]- 342.05358858 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