CID 9547935

(5s)-3-anilino-5-(2,4-difluorophenyl)-5-methyl-1,3-oxazolidine-2,4-dione

Structural Information

Molecular Formula
C16H12F2N2O3
SMILES
C[C@@]1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C16H12F2N2O3/c1-16(12-8-7-10(17)9-13(12)18)14(21)20(15(22)23-16)19-11-5-3-2-4-6-11/h2-9,19H,1H3/t16-/m0/s1
InChIKey
OZZFJGCAYWBVBI-INIZCTEOSA-N
Compound name
(5S)-3-anilino-5-(2,4-difluorophenyl)-5-methyl-1,3-oxazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

318.0816 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08888 168.0
[M+Na]+ 341.07082 178.3
[M-H]- 317.07432 175.7
[M+NH4]+ 336.11542 183.3
[M+K]+ 357.04476 174.5
[M+H-H2O]+ 301.07886 158.3
[M+HCOO]- 363.07980 188.7
[M+CH3COO]- 377.09545 207.6
[M+Na-2H]- 339.05627 170.5
[M]+ 318.08105 166.8
[M]- 318.08215 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe