CID 3063408

100718-50-1

Structural Information

Molecular Formula
C14H17NO3
SMILES
CC(C)C1(COC(=O)N(C1=O)C)C2=CC=CC=C2
InChI
InChI=1S/C14H17NO3/c1-10(2)14(11-7-5-4-6-8-11)9-18-13(17)15(3)12(14)16/h4-8,10H,9H2,1-3H3
InChIKey
OFYDQTWMYQGIBC-UHFFFAOYSA-N
Compound name
3-methyl-5-phenyl-5-propan-2-yl-1,3-oxazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.12085 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 155.7
[M+Na]+ 270.11007 168.7
[M+NH4]+ 265.15467 164.4
[M+K]+ 286.08401 161.3
[M-H]- 246.11357 159.7
[M+Na-2H]- 268.09552 162.9
[M]+ 247.12030 158.8
[M]- 247.12140 158.8
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.