CID 516641

3,5-diphenyl-3-(1h-imidazl-1-ylmethyl)-2-methylisoxazolidine

Structural Information

Molecular Formula
C20H21N3O
SMILES
CN1[C@](C[C@H](O1)C2=CC=CC=C2)(CN3C=CN=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H21N3O/c1-22-20(15-23-13-12-21-16-23,18-10-6-3-7-11-18)14-19(24-22)17-8-4-2-5-9-17/h2-13,16,19H,14-15H2,1H3/t19-,20+/m0/s1
InChIKey
ZLCZSNKZIIEUBS-VQTJNVASSA-N
Compound name
(3S,5S)-3-(imidazol-1-ylmethyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.16846 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.17574 174.3
[M+Na]+ 342.15768 181.6
[M-H]- 318.16118 183.9
[M+NH4]+ 337.20228 187.9
[M+K]+ 358.13162 177.3
[M+H-H2O]+ 302.16572 163.4
[M+HCOO]- 364.16666 193.4
[M+CH3COO]- 378.18231 185.1
[M+Na-2H]- 340.14313 175.6
[M]+ 319.16791 173.6
[M]- 319.16901 173.6
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.