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

5
Patents

298.13174 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13902 168.8
[M+Na]+ 321.12096 176.5
[M-H]- 297.12446 171.1
[M+NH4]+ 316.16556 182.5
[M+K]+ 337.09490 170.4
[M+H-H2O]+ 281.12900 160.6
[M+HCOO]- 343.12994 185.2
[M+CH3COO]- 357.14559 201.4
[M+Na-2H]- 319.10641 170.5
[M]+ 298.13119 166.5
[M]- 298.13229 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