CID 36836

Barbituric acid, 5,5-diallyl-1-phenethyl-

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]+ 313.154676 173.1
[M+Na]+ 335.136618 180.4
[M-H]- 311.140124 175.2
[M+NH4]+ 330.181223 186.3
[M+K]+ 351.110558 174.1
[M+H-H2O]+ 295.144660 164.8
[M+HCOO]- 357.145601 189.2
[M+CH3COO]- 371.161251 204.4
[M+Na-2H]- 333.122066 174.3
[M]+ 312.14685142 171.2
[M]- 312.14794858 171.2
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.