CID 11971225

94005-29-5

Structural Information

Molecular Formula
C18H17NO3
SMILES
CN1C(=O)C(COC1=O)(CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H17NO3/c1-19-16(20)18(13-22-17(19)21,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3
InChIKey
BCINTPZPIYTVPN-UHFFFAOYSA-N
Compound name
5-benzyl-3-methyl-5-phenyl-1,3-oxazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12085 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.128126 168.4
[M+Na]+ 318.110068 175.9
[M-H]- 294.113574 177.3
[M+NH4]+ 313.154673 182.4
[M+K]+ 334.084008 172.8
[M+H-H2O]+ 278.118110 158.8
[M+HCOO]- 340.119051 187.2
[M+CH3COO]- 354.134701 179.8
[M+Na-2H]- 316.095516 173.3
[M]+ 295.12030142 167.3
[M]- 295.12139858 167.3
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.