CID 5273690

Chembl40087

Structural Information

Molecular Formula
C16H16FN3O3
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CN(C=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H16FN3O3/c1-11(21)18-8-15-10-20(16(22)23-15)14-6-7-19(9-14)13-4-2-12(17)3-5-13/h2-7,9,15H,8,10H2,1H3,(H,18,21)/t15-/m0/s1
InChIKey
LOYZCAHFCSOARJ-HNNXBMFYSA-N
Compound name
N-[[(5S)-3-[1-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

317.11758 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.12486 171.2
[M+Na]+ 340.10680 178.8
[M-H]- 316.11030 178.6
[M+NH4]+ 335.15140 184.7
[M+K]+ 356.08074 176.0
[M+H-H2O]+ 300.11484 161.9
[M+HCOO]- 362.11578 191.4
[M+CH3COO]- 376.13143 207.1
[M+Na-2H]- 338.09225 170.0
[M]+ 317.11703 171.0
[M]- 317.11813 171.0
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.