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 176.0
[M+Na]+ 344.12908 182.4
[M-H]- 320.13258 182.3
[M+NH4]+ 339.17368 191.4
[M+K]+ 360.10302 180.0
[M+H-H2O]+ 304.13712 169.7
[M+HCOO]- 366.13806 186.7
[M+CH3COO]- 380.15371 204.8
[M+Na-2H]- 342.11453 176.2
[M]+ 321.13931 177.9
[M]- 321.14041 177.9
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