CID 48576

Barbituric acid, 1-benzyl-5,5-diallyl-

Structural Information

Molecular Formula
C17H18N2O3
SMILES
C=CCC1(C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)CC=C
InChI
InChI=1S/C17H18N2O3/c1-3-10-17(11-4-2)14(20)18-16(22)19(15(17)21)12-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2,(H,18,20,22)
InChIKey
DMNLJTFWKSDUEN-UHFFFAOYSA-N
Compound name
1-benzyl-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

6
Patents

298.13174 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.139016 168.8
[M+Na]+ 321.120958 176.5
[M-H]- 297.124464 171.1
[M+NH4]+ 316.165563 182.5
[M+K]+ 337.094898 170.4
[M+H-H2O]+ 281.129000 160.6
[M+HCOO]- 343.129941 185.2
[M+CH3COO]- 357.145591 201.4
[M+Na-2H]- 319.106406 170.5
[M]+ 298.13119142 166.5
[M]- 298.13228858 166.5
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

patents stripe