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]+ 278.13868 163.2
[M+Na]+ 300.12062 169.1
[M-H]- 276.12412 168.9
[M+NH4]+ 295.16522 176.6
[M+K]+ 316.09456 168.5
[M+H-H2O]+ 260.12866 155.5
[M+HCOO]- 322.12960 179.5
[M+CH3COO]- 336.14525 197.0
[M+Na-2H]- 298.10607 167.2
[M]+ 277.13085 163.4
[M]- 277.13195 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.