CID 3054391

N-(3-(dimethylamino)propyl)-s-phenyl-s-2-thienylsulfoximine

Structural Information

Molecular Formula
C15H20N2OS2
SMILES
CN(C)CCCN=S(=O)(C1=CC=CC=C1)C2=CC=CS2
InChI
InChI=1S/C15H20N2OS2/c1-17(2)12-7-11-16-20(18,15-10-6-13-19-15)14-8-4-3-5-9-14/h3-6,8-10,13H,7,11-12H2,1-2H3
InChIKey
GRSZTUFRSFNCTA-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[(oxo-phenyl-thiophen-2-yl-lambda6-sulfanylidene)amino]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

308.1017 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.108976 172.7
[M+Na]+ 331.090918 179.5
[M-H]- 307.094424 181.5
[M+NH4]+ 326.135523 190.6
[M+K]+ 347.064858 175.0
[M+H-H2O]+ 291.098960 165.0
[M+HCOO]- 353.099901 189.6
[M+CH3COO]- 367.115551 208.8
[M+Na-2H]- 329.076366 174.3
[M]+ 308.10115142 177.2
[M]- 308.10224858 177.2
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