CID 3054384

Sulfoximine, s,s-di-2-thienyl-n-(2-(1-piperidinyl)ethyl)-

Structural Information

Molecular Formula
C15H20N2OS3
SMILES
C1CCN(CC1)CCN=S(=O)(C2=CC=CS2)C3=CC=CS3
InChI
InChI=1S/C15H20N2OS3/c18-21(14-6-4-12-19-14,15-7-5-13-20-15)16-8-11-17-9-2-1-3-10-17/h4-7,12-13H,1-3,8-11H2
InChIKey
IKVKJCYGNQAGDB-UHFFFAOYSA-N
Compound name
oxo-(2-piperidin-1-ylethylimino)-dithiophen-2-yl-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

340.0738 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.08108 179.9
[M+Na]+ 363.06302 188.5
[M-H]- 339.06652 188.7
[M+NH4]+ 358.10762 196.9
[M+K]+ 379.03696 182.2
[M+H-H2O]+ 323.07106 173.9
[M+HCOO]- 385.07200 189.1
[M+CH3COO]- 399.08765 190.2
[M+Na-2H]- 361.04847 178.8
[M]+ 340.07325 180.6
[M]- 340.07435 180.6
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