CID 28108

16846-63-2

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)CC=C)CC=C)C2=CC=CC=C2
InChI
InChI=1S/C18H20N2O3/c1-4-12-19-15(21)18(6-3,14-10-8-7-9-11-14)16(22)20(13-5-2)17(19)23/h4-5,7-11H,1-2,6,12-13H2,3H3
InChIKey
YFLJPNVUFFTRPL-UHFFFAOYSA-N
Compound name
5-ethyl-5-phenyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1474 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.154676 171.1
[M+Na]+ 335.136618 179.8
[M-H]- 311.140124 175.0
[M+NH4]+ 330.181223 185.4
[M+K]+ 351.110558 174.4
[M+H-H2O]+ 295.144660 162.8
[M+HCOO]- 357.145601 188.8
[M+CH3COO]- 371.161251 208.1
[M+Na-2H]- 333.122066 172.2
[M]+ 312.14685142 171.5
[M]- 312.14794858 171.5
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.