CID 3073920

153804-44-5

Structural Information

Molecular Formula
C13H15NO3S
SMILES
C1CC2=C(C(=CC=C2)OCC3CNC(=O)O3)SC1
InChI
InChI=1S/C13H15NO3S/c15-13-14-7-10(17-13)8-16-11-5-1-3-9-4-2-6-18-12(9)11/h1,3,5,10H,2,4,6-8H2,(H,14,15)
InChIKey
ARQMMKLIHMGUCR-UHFFFAOYSA-N
Compound name
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

7
Patents

265.07727 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08455 156.6
[M+Na]+ 288.06649 163.1
[M-H]- 264.06999 161.6
[M+NH4]+ 283.11109 173.1
[M+K]+ 304.04043 160.2
[M+H-H2O]+ 248.07453 150.3
[M+HCOO]- 310.07547 168.7
[M+CH3COO]- 324.09112 167.6
[M+Na-2H]- 286.05194 158.1
[M]+ 265.07672 155.5
[M]- 265.07782 155.5
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