CID 3074292

2-phenyl-2-(2-(2-phenyl-1,3-dithiolan-2-yl)ethyl)thiazolidine

Structural Information

Molecular Formula
C20H23NS3
SMILES
C1CSC(N1)(CCC2(SCCS2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H23NS3/c1-3-7-17(8-4-1)19(21-13-14-22-19)11-12-20(23-15-16-24-20)18-9-5-2-6-10-18/h1-10,21H,11-16H2
InChIKey
KKJPYXOFTLNARN-UHFFFAOYSA-N
Compound name
2-phenyl-2-[2-(2-phenyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.09927 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.10655 182.6
[M+Na]+ 396.08849 189.9
[M-H]- 372.09199 190.7
[M+NH4]+ 391.13309 200.6
[M+K]+ 412.06243 182.4
[M+H-H2O]+ 356.09653 177.4
[M+HCOO]- 418.09747 187.0
[M+CH3COO]- 432.11312 191.4
[M+Na-2H]- 394.07394 181.3
[M]+ 373.09872 179.3
[M]- 373.09982 179.3
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.