CID 342046

116943-63-6

Structural Information

Molecular Formula
C11H14N2O4S
SMILES
CC(C1=CC=CC=C1)NS(=O)(=O)N2CCOC2=O
InChI
InChI=1S/C11H14N2O4S/c1-9(10-5-3-2-4-6-10)12-18(15,16)13-7-8-17-11(13)14/h2-6,9,12H,7-8H2,1H3
InChIKey
XNCDAWKGNHVSHX-UHFFFAOYSA-N
Compound name
2-oxo-N-(1-phenylethyl)-1,3-oxazolidine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0674 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.074676 158.1
[M+Na]+ 293.056618 164.9
[M-H]- 269.060124 164.3
[M+NH4]+ 288.101223 173.4
[M+K]+ 309.030558 163.5
[M+H-H2O]+ 253.064660 151.5
[M+HCOO]- 315.065601 174.1
[M+CH3COO]- 329.081251 193.3
[M+Na-2H]- 291.042066 161.0
[M]+ 270.06685142 159.6
[M]- 270.06794858 159.6
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

No patent data available for this compound.