CID 3054394

N-(2-pyrrolidinoethyl)-s-phenyl-s-(2-thienyl)sulphoximide

Structural Information

Molecular Formula
C16H20N2OS2
SMILES
C1CCN(C1)CCN=S(=O)(C2=CC=CC=C2)C3=CC=CS3
InChI
InChI=1S/C16H20N2OS2/c19-21(16-9-6-14-20-16,15-7-2-1-3-8-15)17-10-13-18-11-4-5-12-18/h1-3,6-9,14H,4-5,10-13H2
InChIKey
MHQFRNPASVAMRI-UHFFFAOYSA-N
Compound name
oxo-phenyl-(2-pyrrolidin-1-ylethylimino)-thiophen-2-yl-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

320.1017 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.108976 176.1
[M+Na]+ 343.090918 183.6
[M-H]- 319.094424 185.7
[M+NH4]+ 338.135523 193.8
[M+K]+ 359.064858 178.6
[M+H-H2O]+ 303.098960 169.2
[M+HCOO]- 365.099901 190.5
[M+CH3COO]- 379.115551 187.2
[M+Na-2H]- 341.076366 175.3
[M]+ 320.10115142 177.3
[M]- 320.10224858 177.3
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