CID 3049198

Oxazolidine-2-one, 3-(3-(trifluoromethyl)phenyl)-5-(hydroxymethyl)-, isopropylcarbamate

Structural Information

Molecular Formula
C15H17F3N2O4
SMILES
CC(C)NC(=O)OCC1CN(C(=O)O1)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C15H17F3N2O4/c1-9(2)19-13(21)23-8-12-7-20(14(22)24-12)11-5-3-4-10(6-11)15(16,17)18/h3-6,9,12H,7-8H2,1-2H3,(H,19,21)
InChIKey
CKFRJLQAEBVBGM-UHFFFAOYSA-N
Compound name
[2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.11404 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.12132 176.2
[M+Na]+ 369.10326 182.6
[M-H]- 345.10676 178.4
[M+NH4]+ 364.14786 188.2
[M+K]+ 385.07720 181.1
[M+H-H2O]+ 329.11130 166.4
[M+HCOO]- 391.11224 191.4
[M+CH3COO]- 405.12789 211.8
[M+Na-2H]- 367.08871 175.6
[M]+ 346.11349 174.1
[M]- 346.11459 174.1
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.