CID 3054393

S-phenyl-s-2-thienyl-n-(3-(trimethylammonio)propyl)sulfoximine iodide

Structural Information

Molecular Formula
C16H23N2OS2
SMILES
C[N+](C)(C)CCCN=S(=O)(C1=CC=CC=C1)C2=CC=CS2
InChI
InChI=1S/C16H23N2OS2/c1-18(2,3)13-8-12-17-21(19,16-11-7-14-20-16)15-9-5-4-6-10-15/h4-7,9-11,14H,8,12-13H2,1-3H3/q+1
InChIKey
IAADFDMEKOWSQL-UHFFFAOYSA-N
Compound name
trimethyl-[3-[(oxo-phenyl-thiophen-2-yl-lambda6-sulfanylidene)amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.12518 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13246 173.4
[M+Na]+ 346.11440 180.0
[M-H]- 322.11790 182.4
[M+NH4]+ 341.15900 190.7
[M+K]+ 362.08834 169.8
[M+H-H2O]+ 306.12244 168.5
[M+HCOO]- 368.12338 189.2
[M+CH3COO]- 382.13903 204.7
[M+Na-2H]- 344.09985 179.2
[M]+ 323.12463 176.0
[M]- 323.12573 176.0
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.