CID 6410578

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

Structural Information

Molecular Formula
C14H19N2OS3
SMILES
CCN(CC)CCN=[S-](=O)C1=C(SC=C1)C2=CC=CS2
InChI
InChI=1S/C14H19N2OS3/c1-3-16(4-2)9-8-15-20(17)13-7-11-19-14(13)12-6-5-10-18-12/h5-7,10-11H,3-4,8-9H2,1-2H3/q-1
InChIKey
FDZRHCXFHFLPII-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.06595 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.07323 171.4
[M+Na]+ 350.05517 179.1
[M+NH4]+ 345.09977 179.4
[M+K]+ 366.02911 171.5
[M-H]- 326.05867 175.5
[M+Na-2H]- 348.04062 175.3
[M]+ 327.06540 174.5
[M]- 327.06650 174.5
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

No patent data available for this compound.