CID 485758

Vrc3281

Structural Information

Molecular Formula
C18H24FN3O4S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)SCCN3CCOCC3)F
InChI
InChI=1S/C18H24FN3O4S/c1-13(23)20-11-15-12-22(18(24)26-15)14-2-3-17(16(19)10-14)27-9-6-21-4-7-25-8-5-21/h2-3,10,15H,4-9,11-12H2,1H3,(H,20,23)/t15-/m0/s1
InChIKey
HHYDEEHELBOSQR-HNNXBMFYSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.14716 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.15444 193.9
[M+Na]+ 420.13638 198.2
[M-H]- 396.13988 200.0
[M+NH4]+ 415.18098 201.3
[M+K]+ 436.11032 195.8
[M+H-H2O]+ 380.14442 184.1
[M+HCOO]- 442.14536 202.9
[M+CH3COO]- 456.16101 220.3
[M+Na-2H]- 418.12183 189.7
[M]+ 397.14661 193.5
[M]- 397.14771 193.5
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.