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: 8
Patents: 265.07727 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.084546	156.6
[M+Na]+	288.066488	163.1
[M-H]-	264.069994	161.6
[M+NH4]+	283.111093	173.1
[M+K]+	304.040428	160.2
[M+H-H2O]+	248.074530	150.3
[M+HCOO]-	310.075471	168.7
[M+CH3COO]-	324.091121	167.6
[M+Na-2H]-	286.051936	158.1
[M]+	265.07672142	155.5
[M]-	265.07781858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe