CID 57370228

S 2474

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

51
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

literature stripe

Patent stripe

patents stripe