CID 3063781

5-cyclohexyl-3-methyl-5-phenyl-1,3-oxazinane-2,4-dione

Structural Information

Molecular Formula
C17H21NO3
SMILES
CN1C(=O)C(COC1=O)(C2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C17H21NO3/c1-18-15(19)17(12-21-16(18)20,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3
InChIKey
NYQWPBVVXZDZFA-UHFFFAOYSA-N
Compound name
5-cyclohexyl-3-methyl-5-phenyl-1,3-oxazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.15213 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.159406 167.8
[M+Na]+ 310.141348 172.6
[M-H]- 286.144854 175.7
[M+NH4]+ 305.185953 182.0
[M+K]+ 326.115288 170.3
[M+H-H2O]+ 270.149390 158.6
[M+HCOO]- 332.150331 182.6
[M+CH3COO]- 346.165981 199.5
[M+Na-2H]- 308.126796 170.3
[M]+ 287.15158142 162.2
[M]- 287.15267858 162.2
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.