CID 3073919

153804-43-4

Structural Information

Molecular Formula
C17H23NO3S
SMILES
CC(C)(C)N1CC(OC1=O)COC2=CC=CC3=C2SCCC3
InChI
InChI=1S/C17H23NO3S/c1-17(2,3)18-10-13(21-16(18)19)11-20-14-8-4-6-12-7-5-9-22-15(12)14/h4,6,8,13H,5,7,9-11H2,1-3H3
InChIKey
FDTOJWREYUBOPR-UHFFFAOYSA-N
Compound name
3-tert-butyl-5-(3,4-dihydro-2H-thiochromen-8-yloxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

321.13986 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14714 175.2
[M+Na]+ 344.12908 185.8
[M+NH4]+ 339.17368 183.3
[M+K]+ 360.10302 179.8
[M-H]- 320.13258 179.0
[M+Na-2H]- 342.11453 178.4
[M]+ 321.13931 178.2
[M]- 321.14041 178.2
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