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]+ 321.10898 176.1
[M+Na]+ 343.09092 183.6
[M-H]- 319.09442 185.7
[M+NH4]+ 338.13552 193.8
[M+K]+ 359.06486 178.6
[M+H-H2O]+ 303.09896 169.2
[M+HCOO]- 365.09990 190.5
[M+CH3COO]- 379.11555 187.2
[M+Na-2H]- 341.07637 175.3
[M]+ 320.10115 177.3
[M]- 320.10225 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