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 172.7
[M+Na]+ 331.09092 179.5
[M-H]- 307.09442 181.5
[M+NH4]+ 326.13552 190.6
[M+K]+ 347.06486 175.0
[M+H-H2O]+ 291.09896 165.0
[M+HCOO]- 353.09990 189.6
[M+CH3COO]- 367.11555 208.8
[M+Na-2H]- 329.07637 174.3
[M]+ 308.10115 177.2
[M]- 308.10225 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