CID 3065040

106463-24-5

Structural Information

Molecular Formula
C16H18N2O3
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)CC=C)C)C2=CC=CC=C2
InChI
InChI=1S/C16H18N2O3/c1-4-11-18-14(20)16(5-2,12-9-7-6-8-10-12)13(19)17(3)15(18)21/h4,6-10H,1,5,11H2,2-3H3
InChIKey
STWDDJBJUXRMPJ-UHFFFAOYSA-N
Compound name
5-ethyl-1-methyl-5-phenyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13174 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 163.8
[M+Na]+ 309.12096 173.1
[M-H]- 285.12446 168.1
[M+NH4]+ 304.16556 179.2
[M+K]+ 325.09490 168.8
[M+H-H2O]+ 269.12900 155.9
[M+HCOO]- 331.12994 182.0
[M+CH3COO]- 345.14559 202.9
[M+Na-2H]- 307.10641 165.9
[M]+ 286.13119 164.3
[M]- 286.13229 164.3
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.