CID 516649

Cis-3-(4-fluorophenyl)-3-(1h-imidazol-1-ylmethyl)-5-phenyl-2-(phenylmethyl)isoxazoline

Structural Information

Molecular Formula
C26H24FN3O
SMILES
C1[C@H](ON([C@]1(CN2C=CN=C2)C3=CC=C(C=C3)F)CC4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H24FN3O/c27-24-13-11-23(12-14-24)26(19-29-16-15-28-20-29)17-25(22-9-5-2-6-10-22)31-30(26)18-21-7-3-1-4-8-21/h1-16,20,25H,17-19H2/t25-,26+/m0/s1
InChIKey
ADMHQVNQRIGPDJ-IZZNHLLZSA-N
Compound name
(3S,5S)-2-benzyl-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-5-phenyl-1,2-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.19034 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.19762 198.2
[M+Na]+ 436.17956 205.1
[M-H]- 412.18306 209.3
[M+NH4]+ 431.22416 207.4
[M+K]+ 452.15350 198.4
[M+H-H2O]+ 396.18760 184.6
[M+HCOO]- 458.18854 215.2
[M+CH3COO]- 472.20419 206.9
[M+Na-2H]- 434.16501 196.7
[M]+ 413.18979 196.1
[M]- 413.19089 196.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.