CID 3054395

N-(2-(diethylamino)ethyl)-s-phenyl-s-3-thienylsulfoximine

Structural Information

Molecular Formula
C16H22N2OS2
SMILES
CCN(CC)CCN=S(=O)(C1=CC=CC=C1)C2=CSC=C2
InChI
InChI=1S/C16H22N2OS2/c1-3-18(4-2)12-11-17-21(19,16-10-13-20-14-16)15-8-6-5-7-9-15/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKey
ALQHRCKXGLTZLI-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[(oxo-phenyl-thiophen-3-yl-lambda6-sulfanylidene)amino]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

322.11737 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12465 174.8
[M+Na]+ 345.10659 184.3
[M+NH4]+ 340.15119 183.4
[M+K]+ 361.08053 175.0
[M-H]- 321.11009 179.7
[M+Na-2H]- 343.09204 181.9
[M]+ 322.11682 178.4
[M]- 322.11792 178.4
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