CID 476960

Chembl390465

Structural Information

Molecular Formula
C16H16FN3O4
SMILES
CC1=NOC(=C1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C)F
InChI
InChI=1S/C16H16FN3O4/c1-9-5-15(24-19-9)13-4-3-11(6-14(13)17)20-8-12(23-16(20)22)7-18-10(2)21/h3-6,12H,7-8H2,1-2H3,(H,18,21)/t12-/m0/s1
InChIKey
ZYVPPMWBVIQPPH-LBPRGKRZSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.1125 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11978 175.7
[M+Na]+ 356.10172 184.3
[M-H]- 332.10522 184.1
[M+NH4]+ 351.14632 187.5
[M+K]+ 372.07566 182.7
[M+H-H2O]+ 316.10976 167.0
[M+HCOO]- 378.11070 195.1
[M+CH3COO]- 392.12635 211.0
[M+Na-2H]- 354.08717 174.3
[M]+ 333.11195 177.9
[M]- 333.11305 177.9
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.