CID 10945746

(5s)-n-tert-butyloxycarbonyl-3,4,5,6-tetrahydro-5-phenyl-4(h)-1,4-oxazin-2-one

Structural Information

Molecular Formula
C15H19NO4
SMILES
CC(C)(C)OC(=O)N1CC(=O)OC[C@@H]1C2=CC=CC=C2
InChI
InChI=1S/C15H19NO4/c1-15(2,3)20-14(18)16-9-13(17)19-10-12(16)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m1/s1
InChIKey
CZACTLXFENUALF-GFCCVEGCSA-N
Compound name
tert-butyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1314 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.138676 163.2
[M+Na]+ 300.120618 169.1
[M-H]- 276.124124 168.9
[M+NH4]+ 295.165223 176.6
[M+K]+ 316.094558 168.5
[M+H-H2O]+ 260.128660 155.5
[M+HCOO]- 322.129601 179.5
[M+CH3COO]- 336.145251 197.0
[M+Na-2H]- 298.106066 167.2
[M]+ 277.13085142 163.4
[M]- 277.13194858 163.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.