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]+ 347.121316 176.2
[M+Na]+ 369.103258 182.6
[M-H]- 345.106764 178.4
[M+NH4]+ 364.147863 188.2
[M+K]+ 385.077198 181.1
[M+H-H2O]+ 329.111300 166.4
[M+HCOO]- 391.112241 191.4
[M+CH3COO]- 405.127891 211.8
[M+Na-2H]- 367.088706 175.6
[M]+ 346.11349142 174.1
[M]- 346.11458858 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.