CID 6482631

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

Structural Information

Molecular Formula
C20H20ClN3OS
SMILES
CN1[C@@](C[C@H](O1)CSC2=CC=C(C=C2)Cl)(C3=CC=CC=C3)N4C=CN=C4
InChI
InChI=1S/C20H20ClN3OS/c1-23-20(24-12-11-22-15-24,16-5-3-2-4-6-16)13-18(25-23)14-26-19-9-7-17(21)8-10-19/h2-12,15,18H,13-14H2,1H3/t18-,20+/m0/s1
InChIKey
QXQOAMWZTQOESE-AZUAARDMSA-N
Compound name
(3S,5S)-5-[(4-chlorophenyl)sulfanylmethyl]-3-imidazol-1-yl-2-methyl-3-phenyl-1,2-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.10156 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.10884 188.7
[M+Na]+ 408.09078 198.8
[M-H]- 384.09428 199.0
[M+NH4]+ 403.13538 202.0
[M+K]+ 424.06472 193.0
[M+H-H2O]+ 368.09882 179.6
[M+HCOO]- 430.09976 199.0
[M+CH3COO]- 444.11541 199.2
[M+Na-2H]- 406.07623 186.3
[M]+ 385.10101 193.1
[M]- 385.10211 193.1
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.