CID 6482633

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

Structural Information

Molecular Formula
C20H19Cl2N3OS
SMILES
CN1[C@@](C[C@H](O1)CSC2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)N4C=CN=C4
InChI
InChI=1S/C20H19Cl2N3OS/c1-24-20(25-11-10-23-14-25,15-2-4-16(21)5-3-15)12-18(26-24)13-27-19-8-6-17(22)7-9-19/h2-11,14,18H,12-13H2,1H3/t18-,20+/m0/s1
InChIKey
PAGNRFSROSFFJM-AZUAARDMSA-N
Compound name
(3S,5S)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)sulfanylmethyl]-3-imidazol-1-yl-2-methyl-1,2-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.0626 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.06988 195.7
[M+Na]+ 442.05182 206.4
[M-H]- 418.05532 205.3
[M+NH4]+ 437.09642 208.2
[M+K]+ 458.02576 200.0
[M+H-H2O]+ 402.05986 186.6
[M+HCOO]- 464.06080 200.6
[M+CH3COO]- 478.07645 205.5
[M+Na-2H]- 440.03727 191.7
[M]+ 419.06205 201.3
[M]- 419.06315 201.3
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.