CID 36836

Brn 0296142

Structural Information

Molecular Formula
C18H20N2O3
SMILES
C=CCC1(C(=O)NC(=O)N(C1=O)CCC2=CC=CC=C2)CC=C
InChI
InChI=1S/C18H20N2O3/c1-3-11-18(12-4-2)15(21)19-17(23)20(16(18)22)13-10-14-8-6-5-7-9-14/h3-9H,1-2,10-13H2,(H,19,21,23)
InChIKey
DLKVITCFMFWCSL-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)-5,5-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

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 176.1
[M+Na]+ 335.13662 187.8
[M+NH4]+ 330.18122 182.1
[M+K]+ 351.11056 178.8
[M-H]- 311.14012 176.6
[M+Na-2H]- 333.12207 181.3
[M]+ 312.14685 177.7
[M]- 312.14795 177.7
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.