CID 1514885

137506-94-6

Structural Information

Molecular Formula
C18H23NO2S2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)NC(=S)S2
InChI
InChI=1S/C18H23NO2S2/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)/b13-9-
InChIKey
WBDPSYDYYOULLK-LCYFTJDESA-N
Compound name
(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

31
Patents

349.11703 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.12431 183.1
[M+Na]+ 372.10625 191.0
[M-H]- 348.10975 185.8
[M+NH4]+ 367.15085 197.2
[M+K]+ 388.08019 183.5
[M+H-H2O]+ 332.11429 178.3
[M+HCOO]- 394.11523 187.2
[M+CH3COO]- 408.13088 206.7
[M+Na-2H]- 370.09170 178.7
[M]+ 349.11648 183.3
[M]- 349.11758 183.3
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