CID 211652

23509-74-2

Structural Information

Molecular Formula
C17H17NOS2
SMILES
C1C(N(C(=S)S1)CCC2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C17H17NOS2/c19-17(15-9-5-2-6-10-15)13-21-16(20)18(17)12-11-14-7-3-1-4-8-14/h1-10,19H,11-13H2
InChIKey
LULFZAHXUOIICP-UHFFFAOYSA-N
Compound name
4-hydroxy-4-phenyl-3-(2-phenylethyl)-1,3-thiazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

315.07516 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08244 169.8
[M+Na]+ 338.06438 178.2
[M-H]- 314.06788 176.6
[M+NH4]+ 333.10898 186.9
[M+K]+ 354.03832 171.0
[M+H-H2O]+ 298.07242 163.3
[M+HCOO]- 360.07336 180.3
[M+CH3COO]- 374.08901 180.4
[M+Na-2H]- 336.04983 169.3
[M]+ 315.07461 169.7
[M]- 315.07571 169.7
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