CID 3049195

64589-76-0

Structural Information

Molecular Formula
C12H13ClN2O4
SMILES
CNC(=O)OCC1CN(C(=O)O1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H13ClN2O4/c1-14-11(16)18-7-10-6-15(12(17)19-10)9-4-2-8(13)3-5-9/h2-5,10H,6-7H2,1H3,(H,14,16)
InChIKey
WXRBDDGLAWDWAK-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0564 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06368 161.7
[M+Na]+ 307.04562 169.8
[M-H]- 283.04912 168.0
[M+NH4]+ 302.09022 177.3
[M+K]+ 323.01956 167.4
[M+H-H2O]+ 267.05366 154.9
[M+HCOO]- 329.05460 179.1
[M+CH3COO]- 343.07025 197.7
[M+Na-2H]- 305.03107 163.9
[M]+ 284.05585 165.2
[M]- 284.05695 165.2
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

No patent data available for this compound.