CID 57370228

Dtxsid20724630

Structural Information

Molecular Formula
C20H31NO3S
SMILES
CCN1CCC(=CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)S1(=O)=O
InChI
InChI=1S/C20H31NO3S/c1-8-21-10-9-15(25(21,23)24)11-14-12-16(19(2,3)4)18(22)17(13-14)20(5,6)7/h11-13,22H,8-10H2,1-7H3
InChIKey
HFWZBWTWCKQUCB-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-[(2-ethyl-1,1-dioxo-1,2-thiazolidin-5-ylidene)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

87
Patents

365.20245 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.20973 190.8
[M+Na]+ 388.19167 200.0
[M+NH4]+ 383.23627 197.5
[M+K]+ 404.16561 193.3
[M-H]- 364.19517 190.7
[M+Na-2H]- 386.17712 194.5
[M]+ 365.20190 192.7
[M]- 365.20300 192.7
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

patents stripe