CID 211857

23619-09-2

Structural Information

Molecular Formula
C18H19NOS2
SMILES
CC(CC1=CC=CC=C1)N2C(=S)SCC2(C3=CC=CC=C3)O
InChI
InChI=1S/C18H19NOS2/c1-14(12-15-8-4-2-5-9-15)19-17(21)22-13-18(19,20)16-10-6-3-7-11-16/h2-11,14,20H,12-13H2,1H3
InChIKey
KGNCBKVGLKGECJ-UHFFFAOYSA-N
Compound name
4-hydroxy-4-phenyl-3-(1-phenylpropan-2-yl)-1,3-thiazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.09082 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09810 174.0
[M+Na]+ 352.08004 181.5
[M-H]- 328.08354 180.7
[M+NH4]+ 347.12464 190.4
[M+K]+ 368.05398 174.7
[M+H-H2O]+ 312.08808 167.5
[M+HCOO]- 374.08902 183.0
[M+CH3COO]- 388.10467 184.0
[M+Na-2H]- 350.06549 172.3
[M]+ 329.09027 173.7
[M]- 329.09137 173.7
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

No patent data available for this compound.