CID 485773

Vrc303

Structural Information

Molecular Formula
C22H24FN3O4S
SMILES
C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)CSC4=CC=CC=C4)F
InChI
InChI=1S/C22H24FN3O4S/c23-19-12-16(6-7-20(19)25-8-10-29-11-9-25)26-14-17(30-22(26)28)13-24-21(27)15-31-18-4-2-1-3-5-18/h1-7,12,17H,8-11,13-15H2,(H,24,27)/t17-/m0/s1
InChIKey
PEASLVVEDGCZTG-KRWDZBQOSA-N
Compound name
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.14716 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.15444 204.8
[M+Na]+ 468.13638 208.8
[M-H]- 444.13988 213.8
[M+NH4]+ 463.18098 209.6
[M+K]+ 484.11032 205.3
[M+H-H2O]+ 428.14442 193.8
[M+HCOO]- 490.14536 213.9
[M+CH3COO]- 504.16101 211.7
[M+Na-2H]- 466.12183 200.9
[M]+ 445.14661 203.2
[M]- 445.14771 203.2
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.