CID 3063632

101287-50-7

Structural Information

Molecular Formula
C16H19NO3
SMILES
C1CCC(CC1)C2(COC(=O)NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C16H19NO3/c18-14-16(11-20-15(19)17-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,17,18,19)
InChIKey
IZOBTIGADVVORC-UHFFFAOYSA-N
Compound name
5-cyclohexyl-5-phenyl-1,3-oxazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1365 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 164.4
[M+Na]+ 296.12572 168.2
[M-H]- 272.12922 170.6
[M+NH4]+ 291.17032 178.0
[M+K]+ 312.09966 165.2
[M+H-H2O]+ 256.13376 155.3
[M+HCOO]- 318.13470 178.0
[M+CH3COO]- 332.15035 173.8
[M+Na-2H]- 294.11117 167.6
[M]+ 273.13595 156.1
[M]- 273.13705 156.1
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.