CID 211650

23509-72-0

Structural Information

Molecular Formula
C15H19NOS2
SMILES
C1CCC(CC1)N2C(=S)SCC2(C3=CC=CC=C3)O
InChI
InChI=1S/C15H19NOS2/c17-15(12-7-3-1-4-8-12)11-19-14(18)16(15)13-9-5-2-6-10-13/h1,3-4,7-8,13,17H,2,5-6,9-11H2
InChIKey
MTZKNPXGFUWPTC-UHFFFAOYSA-N
Compound name
3-cyclohexyl-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.09082 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.09810 165.1
[M+Na]+ 316.08004 171.2
[M-H]- 292.08354 170.9
[M+NH4]+ 311.12464 182.8
[M+K]+ 332.05398 165.2
[M+H-H2O]+ 276.08808 159.0
[M+HCOO]- 338.08902 171.9
[M+CH3COO]- 352.10467 174.8
[M+Na-2H]- 314.06549 162.9
[M]+ 293.09027 160.3
[M]- 293.09137 160.3
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.