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 154.2
[M+Na]+ 270.11007 161.8
[M-H]- 246.11357 160.3
[M+NH4]+ 265.15467 170.9
[M+K]+ 286.08401 160.8
[M+H-H2O]+ 230.11811 147.0
[M+HCOO]- 292.11905 172.1
[M+CH3COO]- 306.13470 194.2
[M+Na-2H]- 268.09552 158.2
[M]+ 247.12030 154.0
[M]- 247.12140 154.0
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.