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]+ 328.073226 177.3
[M+Na]+ 350.055168 185.1
[M-H]- 326.058674 184.6
[M+NH4]+ 345.099773 195.5
[M+K]+ 366.029108 179.4
[M+H-H2O]+ 310.063210 172.3
[M+HCOO]- 372.064151 189.9
[M+CH3COO]- 386.079801 209.4
[M+Na-2H]- 348.040616 173.7
[M]+ 327.06540142 180.3
[M]- 327.06649858 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.