CID 11853672

7-((s)-5-hydroxymethyl-2-oxooxazolidin-3-yl)-3-(2-trifluoromethylphenyl)-2h-isoquinolin-1-one

Structural Information

Molecular Formula
C20H15F3N2O4
SMILES
C1[C@H](OC(=O)N1C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4C(F)(F)F)CO
InChI
InChI=1S/C20H15F3N2O4/c21-20(22,23)16-4-2-1-3-14(16)17-7-11-5-6-12(8-15(11)18(27)24-17)25-9-13(10-26)29-19(25)28/h1-8,13,26H,9-10H2,(H,24,27)/t13-/m0/s1
InChIKey
FBZDYLQFPLNXOA-ZDUSSCGKSA-N
Compound name
(5S)-5-(hydroxymethyl)-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

404.0984 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.10568 195.9
[M+Na]+ 427.08762 206.2
[M+NH4]+ 422.13222 199.0
[M+K]+ 443.06156 202.8
[M-H]- 403.09112 195.3
[M+Na-2H]- 425.07307 198.4
[M]+ 404.09785 196.8
[M]- 404.09895 196.8
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

patents stripe