CID 216183

4-cyclohexyl-6-phenylmorpholine-2,3-dione

Structural Information

Molecular Formula
C16H19NO3
SMILES
C1CCC(CC1)N2CC(OC(=O)C2=O)C3=CC=CC=C3
InChI
InChI=1S/C16H19NO3/c18-15-16(19)20-14(12-7-3-1-4-8-12)11-17(15)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2
InChIKey
YBXQUVYQOUFMOM-UHFFFAOYSA-N
Compound name
4-cyclohexyl-6-phenylmorpholine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1365 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 163.5
[M+Na]+ 296.12572 167.7
[M-H]- 272.12922 171.2
[M+NH4]+ 291.17032 176.1
[M+K]+ 312.09966 165.2
[M+H-H2O]+ 256.13376 154.0
[M+HCOO]- 318.13470 178.6
[M+CH3COO]- 332.15035 197.0
[M+Na-2H]- 294.11117 165.4
[M]+ 273.13595 157.2
[M]- 273.13705 157.2
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.