CID 6482340

(s)-n-[[3-(3-fluoro-4-pyrrolidinylphenyl)-2-oxo-5-oxazolidinyl]methyl]-4-oxo-4-(4-thiomethylphenyl)butanamide

Structural Information

Molecular Formula
C25H28FN3O4S
SMILES
CSC1=CC=C(C=C1)C(=O)CCC(=O)NC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)N4CCCC4)F
InChI
InChI=1S/C25H28FN3O4S/c1-34-20-7-4-17(5-8-20)23(30)10-11-24(31)27-15-19-16-29(25(32)33-19)18-6-9-22(21(26)14-18)28-12-2-3-13-28/h4-9,14,19H,2-3,10-13,15-16H2,1H3,(H,27,31)/t19-/m0/s1
InChIKey
HVJQAEBEKLDKMI-IBGZPJMESA-N
Compound name
N-[[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(4-methylsulfanylphenyl)-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.17847 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.18575 216.3
[M+Na]+ 508.16769 220.3
[M-H]- 484.17119 225.7
[M+NH4]+ 503.21229 223.1
[M+K]+ 524.14163 215.8
[M+H-H2O]+ 468.17573 206.7
[M+HCOO]- 530.17667 226.8
[M+CH3COO]- 544.19232 237.4
[M+Na-2H]- 506.15314 207.6
[M]+ 485.17792 217.0
[M]- 485.17902 217.0
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.