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

5
Patents

340.0738 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.081076 179.9
[M+Na]+ 363.063018 188.5
[M-H]- 339.066524 188.7
[M+NH4]+ 358.107623 196.9
[M+K]+ 379.036958 182.2
[M+H-H2O]+ 323.071060 173.9
[M+HCOO]- 385.072001 189.1
[M+CH3COO]- 399.087651 190.2
[M+Na-2H]- 361.048466 178.8
[M]+ 340.07325142 180.6
[M]- 340.07434858 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