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 177.3
[M+Na]+ 350.05517 185.1
[M-H]- 326.05867 184.6
[M+NH4]+ 345.09977 195.5
[M+K]+ 366.02911 179.4
[M+H-H2O]+ 310.06321 172.3
[M+HCOO]- 372.06415 189.9
[M+CH3COO]- 386.07980 209.4
[M+Na-2H]- 348.04062 173.7
[M]+ 327.06540 180.3
[M]- 327.06650 180.3
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

No patent data available for this compound.