CID 981233

Benzyl (2s,3r)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate

Structural Information

Molecular Formula
C24H21NO4
SMILES
C1C(=O)O[C@H]([C@H](N1C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H21NO4/c26-21-16-25(24(27)28-17-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)23(29-21)20-14-8-3-9-15-20/h1-15,22-23H,16-17H2/t22-,23+/m1/s1
InChIKey
HECRUWTZAMPQOS-PKTZIBPZSA-N
Compound name
benzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

67
Patents

387.14706 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.154336 194.0
[M+Na]+ 410.136278 198.4
[M-H]- 386.139784 204.8
[M+NH4]+ 405.180883 201.1
[M+K]+ 426.110218 194.5
[M+H-H2O]+ 370.144320 181.8
[M+HCOO]- 432.145261 210.7
[M+CH3COO]- 446.160911 202.5
[M+Na-2H]- 408.121726 195.6
[M]+ 387.14651142 192.1
[M]- 387.14760858 192.1
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

patents stripe