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

literature stripe

Patent stripe

patents stripe