CID 6482307

(s)-n-[[3-(3-fluoro-4-morpholinylphenyl)-2-oxo-5-oxazolidinyl]methyl]-4-(4-methylphenyl)-4-thioxobutanamide

Structural Information

Molecular Formula
C25H28FN3O4S
SMILES
CC1=CC=C(C=C1)C(=S)CCC(=O)NC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)N4CCOCC4)F
InChI
InChI=1S/C25H28FN3O4S/c1-17-2-4-18(5-3-17)23(34)8-9-24(30)27-15-20-16-29(25(31)33-20)19-6-7-22(21(26)14-19)28-10-12-32-13-11-28/h2-7,14,20H,8-13,15-16H2,1H3,(H,27,30)/t20-/m0/s1
InChIKey
ZITADUQYERUAGJ-FQEVSTJZSA-N
Compound name
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(4-methylphenyl)-4-sulfanylidenebutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.17847 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.18575 218.0
[M+Na]+ 508.16769 221.4
[M-H]- 484.17119 227.0
[M+NH4]+ 503.21229 221.3
[M+K]+ 524.14163 217.3
[M+H-H2O]+ 468.17573 207.1
[M+HCOO]- 530.17667 225.2
[M+CH3COO]- 544.19232 238.6
[M+Na-2H]- 506.15314 211.1
[M]+ 485.17792 216.6
[M]- 485.17902 216.6
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.