CID 11971380

L 2038

Structural Information

Molecular Formula
C17H15NO3
SMILES
C1C(C(=O)NC(=O)O1)(CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H15NO3/c19-15-17(12-21-16(20)18-15,14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,19,20)
InChIKey
WEVKDZCYKHYUGE-UHFFFAOYSA-N
Compound name
5-benzyl-5-phenyl-1,3-oxazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1052 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 164.8
[M+Na]+ 304.09442 171.3
[M-H]- 280.09792 172.1
[M+NH4]+ 299.13902 178.4
[M+K]+ 320.06836 167.5
[M+H-H2O]+ 264.10246 155.5
[M+HCOO]- 326.10340 182.4
[M+CH3COO]- 340.11905 175.5
[M+Na-2H]- 302.07987 170.5
[M]+ 281.10465 161.1
[M]- 281.10575 161.1
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.