CID 11971105

2h-1,3-oxazine-2,4(3h)-dione, dihydro-5-butyl-3-methyl-5-phenyl-

Structural Information

Molecular Formula
C15H19NO3
SMILES
CCCCC1(COC(=O)N(C1=O)C)C2=CC=CC=C2
InChI
InChI=1S/C15H19NO3/c1-3-4-10-15(12-8-6-5-7-9-12)11-19-14(18)16(2)13(15)17/h5-9H,3-4,10-11H2,1-2H3
InChIKey
WIVMCJGETCGQOG-UHFFFAOYSA-N
Compound name
5-butyl-3-methyl-5-phenyl-1,3-oxazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.143776 159.0
[M+Na]+ 284.125718 166.5
[M-H]- 260.129224 164.9
[M+NH4]+ 279.170323 175.2
[M+K]+ 300.099658 164.7
[M+H-H2O]+ 244.133760 151.4
[M+HCOO]- 306.134701 177.6
[M+CH3COO]- 320.150351 196.2
[M+Na-2H]- 282.111166 163.6
[M]+ 261.13595142 159.8
[M]- 261.13704858 159.8
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.