CID 10969297

Tazofelone, (s)-

Structural Information

Molecular Formula
C18H27NO2S
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[C@H]2C(=O)NCS2
InChI
InChI=1S/C18H27NO2S/c1-17(2,3)12-7-11(9-14-16(21)19-10-22-14)8-13(15(12)20)18(4,5)6/h7-8,14,20H,9-10H2,1-6H3,(H,19,21)/t14-/m0/s1
InChIKey
ILMMRHUILQOQGP-AWEZNQCLSA-N
Compound name
(5S)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

618
Patents

321.17624 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18352 181.3
[M+Na]+ 344.16546 190.5
[M+NH4]+ 339.21006 187.8
[M+K]+ 360.13940 185.6
[M-H]- 320.16896 181.9
[M+Na-2H]- 342.15091 183.9
[M]+ 321.17569 183.2
[M]- 321.17679 183.2
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