CID 981225

1,1-dimethylethyl (2s,3r)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate

Structural Information

Molecular Formula
C21H23NO4
SMILES
CC(C)(C)OC(=O)N1CC(=O)O[C@H]([C@H]1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H23NO4/c1-21(2,3)26-20(24)22-14-17(23)25-19(16-12-8-5-9-13-16)18(22)15-10-6-4-7-11-15/h4-13,18-19H,14H2,1-3H3/t18-,19+/m1/s1
InChIKey
MRUKRSQUUNYOFK-MOPGFXCFSA-N
Compound name
tert-butyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

353.16272 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 184.8
[M+Na]+ 376.15194 190.0
[M-H]- 352.15544 193.3
[M+NH4]+ 371.19654 194.5
[M+K]+ 392.12588 187.8
[M+H-H2O]+ 336.15998 175.1
[M+HCOO]- 398.16092 200.2
[M+CH3COO]- 412.17657 212.3
[M+Na-2H]- 374.13739 187.1
[M]+ 353.16217 184.6
[M]- 353.16327 184.6
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

patents stripe