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

88
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 186.3
[M+Na]+ 388.19167 194.6
[M-H]- 364.19517 190.9
[M+NH4]+ 383.23627 202.4
[M+K]+ 404.16561 189.8
[M+H-H2O]+ 348.19971 181.8
[M+HCOO]- 410.20065 196.8
[M+CH3COO]- 424.21630 212.5
[M+Na-2H]- 386.17712 184.9
[M]+ 365.20190 190.0
[M]- 365.20300 190.0
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