CID 48562

5-allyl-5-phenethylbarbituric acid sodium salt

Structural Information

Molecular Formula
C15H16N2O3
SMILES
C=CCC1(C(=O)NC(=O)NC1=O)CCC2=CC=CC=C2
InChI
InChI=1S/C15H16N2O3/c1-2-9-15(10-8-11-6-4-3-5-7-11)12(18)16-14(20)17-13(15)19/h2-7H,1,8-10H2,(H2,16,17,18,19,20)
InChIKey
DBAZTCIPBQSTEU-UHFFFAOYSA-N
Compound name
5-(2-phenylethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1161 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 164.8
[M+Na]+ 295.10532 176.1
[M+NH4]+ 290.14992 171.2
[M+K]+ 311.07926 168.0
[M-H]- 271.10882 165.1
[M+Na-2H]- 293.09077 170.4
[M]+ 272.11555 166.2
[M]- 272.11665 166.2
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.