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

2
Patents

308.1017 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.10898 170.7
[M+Na]+ 331.09092 180.4
[M+NH4]+ 326.13552 179.4
[M+K]+ 347.06486 171.3
[M-H]- 307.09442 175.6
[M+Na-2H]- 329.07637 178.0
[M]+ 308.10115 174.4
[M]- 308.10225 174.4
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