CID 6482636

(3s,5s)-3-(4-chlorophenyl)-3-imidazol-1-yl-2-methyl-5-[(4-nitrophenyl)sulfanylmethyl]isoxazolidine

Structural Information

Molecular Formula
C20H19ClN4O3S
SMILES
CN1[C@@](C[C@H](O1)CSC2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=C(C=C3)Cl)N4C=CN=C4
InChI
InChI=1S/C20H19ClN4O3S/c1-23-20(24-11-10-22-14-24,15-2-4-16(21)5-3-15)12-18(28-23)13-29-19-8-6-17(7-9-19)25(26)27/h2-11,14,18H,12-13H2,1H3/t18-,20+/m0/s1
InChIKey
GDQDWVWARFDZAJ-AZUAARDMSA-N
Compound name
(3S,5S)-3-(4-chlorophenyl)-3-imidazol-1-yl-2-methyl-5-[(4-nitrophenyl)sulfanylmethyl]-1,2-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.08664 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.09392 199.2
[M+Na]+ 453.07586 206.3
[M-H]- 429.07936 209.5
[M+NH4]+ 448.12046 209.1
[M+K]+ 469.04980 197.3
[M+H-H2O]+ 413.08390 194.3
[M+HCOO]- 475.08484 209.9
[M+CH3COO]- 489.10049 215.5
[M+Na-2H]- 451.06131 199.4
[M]+ 430.08609 201.6
[M]- 430.08719 201.6
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.