CID 516647

Cis-3-(4-flurophenyl)-3-(1h-imidzol-1-ylmethyl)-2-methyl-5-phenylisoxazolidine

Structural Information

Molecular Formula
C20H20FN3O
SMILES
CN1[C@](C[C@H](O1)C2=CC=CC=C2)(CN3C=CN=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H20FN3O/c1-23-20(14-24-12-11-22-15-24,17-7-9-18(21)10-8-17)13-19(25-23)16-5-3-2-4-6-16/h2-12,15,19H,13-14H2,1H3/t19-,20+/m0/s1
InChIKey
GXXHTTLQSBUPQA-VQTJNVASSA-N
Compound name
(3S,5S)-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-phenyl-1,2-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.15903 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16631 177.4
[M+Na]+ 360.14825 185.7
[M-H]- 336.15175 186.1
[M+NH4]+ 355.19285 190.5
[M+K]+ 376.12219 180.9
[M+H-H2O]+ 320.15629 165.8
[M+HCOO]- 382.15723 195.5
[M+CH3COO]- 396.17288 188.0
[M+Na-2H]- 358.13370 177.5
[M]+ 337.15848 176.2
[M]- 337.15958 176.2
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.