CID 6481909

(5s)-3-(2-furyl)-3-(imidazol-1-ylmethyl)-5-[(4-methoxyphenoxy)methyl]-2-methyl-isoxazolidine

Structural Information

Molecular Formula
C20H23N3O4
SMILES
CN1C(C[C@H](O1)COC2=CC=C(C=C2)OC)(CN3C=CN=C3)C4=CC=CO4
InChI
InChI=1S/C20H23N3O4/c1-22-20(19-4-3-11-25-19,14-23-10-9-21-15-23)12-18(27-22)13-26-17-7-5-16(24-2)6-8-17/h3-11,15,18H,12-14H2,1-2H3/t18-,20?/m0/s1
InChIKey
AZTVIRYILLOFFY-LROBGIAVSA-N
Compound name
(5S)-3-(furan-2-yl)-3-(imidazol-1-ylmethyl)-5-[(4-methoxyphenoxy)methyl]-2-methyl-1,2-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.16885 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.17613 180.2
[M+Na]+ 392.15807 188.6
[M-H]- 368.16157 191.7
[M+NH4]+ 387.20267 192.6
[M+K]+ 408.13201 187.8
[M+H-H2O]+ 352.16611 171.6
[M+HCOO]- 414.16705 201.1
[M+CH3COO]- 428.18270 191.9
[M+Na-2H]- 390.14352 180.0
[M]+ 369.16830 187.0
[M]- 369.16940 187.0
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.