CID 465953

168828-59-9

Structural Information

Molecular Formula
C16H20FN3O5S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCS(=O)(=O)CC3)F
InChI
InChI=1S/C16H20FN3O5S/c1-11(21)18-9-13-10-20(16(22)25-13)12-2-3-15(14(17)8-12)19-4-6-26(23,24)7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
InChIKey
UYMQTPUEEPRWLS-ZDUSSCGKSA-N
Compound name
N-[[(5S)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

28
Patents

385.11078 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.11806 184.3
[M+Na]+ 408.10000 191.3
[M-H]- 384.10350 190.7
[M+NH4]+ 403.14460 195.7
[M+K]+ 424.07394 188.4
[M+H-H2O]+ 368.10804 175.9
[M+HCOO]- 430.10898 195.3
[M+CH3COO]- 444.12463 216.1
[M+Na-2H]- 406.08545 182.2
[M]+ 385.11023 183.8
[M]- 385.11133 183.8
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

No patent data available for this compound.