CID 211651

3-benzyl-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione

Structural Information

Molecular Formula
C16H15NOS2
SMILES
C1C(N(C(=S)S1)CC2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C16H15NOS2/c18-16(14-9-5-2-6-10-14)12-20-15(19)17(16)11-13-7-3-1-4-8-13/h1-10,18H,11-12H2
InChIKey
ASDJEXFAWDPZFR-UHFFFAOYSA-N
Compound name
3-benzyl-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

301.0595 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06678 165.8
[M+Na]+ 324.04872 174.7
[M-H]- 300.05222 172.8
[M+NH4]+ 319.09332 183.5
[M+K]+ 340.02266 167.7
[M+H-H2O]+ 284.05676 159.5
[M+HCOO]- 346.05770 176.6
[M+CH3COO]- 360.07335 176.8
[M+Na-2H]- 322.03417 165.8
[M]+ 301.05895 165.4
[M]- 301.06005 165.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe