CID 476957

N-[[(5s)-3-[3-fluoro-4-[5-(hydroxymethyl)isoxazol-3-yl]phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide

Structural Information

Molecular Formula
C16H16FN3O5
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=NOC(=C3)CO)F
InChI
InChI=1S/C16H16FN3O5/c1-9(22)18-6-12-7-20(16(23)24-12)10-2-3-13(14(17)4-10)15-5-11(8-21)25-19-15/h2-5,12,21H,6-8H2,1H3,(H,18,22)/t12-/m0/s1
InChIKey
HXUPQJJWOAGYSV-LBPRGKRZSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1074 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.11468 178.2
[M+Na]+ 372.09662 185.9
[M-H]- 348.10012 185.3
[M+NH4]+ 367.14122 188.5
[M+K]+ 388.07056 184.4
[M+H-H2O]+ 332.10466 169.6
[M+HCOO]- 394.10560 196.2
[M+CH3COO]- 408.12125 211.1
[M+Na-2H]- 370.08207 176.7
[M]+ 349.10685 180.0
[M]- 349.10795 180.0
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.