CID 485776

Vrc-323

Structural Information

Molecular Formula
C17H22FN3O4S
SMILES
CSCC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F
InChI
InChI=1S/C17H22FN3O4S/c1-26-11-16(22)19-9-13-10-21(17(23)25-13)12-2-3-15(14(18)8-12)20-4-6-24-7-5-20/h2-3,8,13H,4-7,9-11H2,1H3,(H,19,22)/t13-/m0/s1
InChIKey
UWOSBTBFQCNRFW-ZDUSSCGKSA-N
Compound name
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1315 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13878 189.6
[M+Na]+ 406.12072 194.4
[M-H]- 382.12422 195.9
[M+NH4]+ 401.16532 197.7
[M+K]+ 422.09466 192.2
[M+H-H2O]+ 366.12876 180.1
[M+HCOO]- 428.12970 199.0
[M+CH3COO]- 442.14535 217.4
[M+Na-2H]- 404.10617 186.0
[M]+ 383.13095 188.9
[M]- 383.13205 188.9
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.