CID 3063781

101582-76-7

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]+ 288.15941 167.8
[M+Na]+ 310.14135 172.6
[M-H]- 286.14485 175.7
[M+NH4]+ 305.18595 182.0
[M+K]+ 326.11529 170.3
[M+H-H2O]+ 270.14939 158.6
[M+HCOO]- 332.15033 182.6
[M+CH3COO]- 346.16598 199.5
[M+Na-2H]- 308.12680 170.3
[M]+ 287.15158 162.2
[M]- 287.15268 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.