CID 616596

Barbituric acid, 5-(1-cyclohexen-1-yl)-5-ethyl-1,3-dimethyl-

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)C)C)C2=CCCCC2
InChI
InChI=1S/C14H20N2O3/c1-4-14(10-8-6-5-7-9-10)11(17)15(2)13(19)16(3)12(14)18/h8H,4-7,9H2,1-3H3
InChIKey
BXMWIGPYMDHLKE-UHFFFAOYSA-N
Compound name
5-(cyclohexen-1-yl)-5-ethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 159.7
[M+Na]+ 287.136618 167.5
[M-H]- 263.140124 163.6
[M+NH4]+ 282.181223 176.0
[M+K]+ 303.110558 164.7
[M+H-H2O]+ 247.144660 152.2
[M+HCOO]- 309.145601 175.4
[M+CH3COO]- 323.161251 198.5
[M+Na-2H]- 285.122066 160.8
[M]+ 264.14685142 157.3
[M]- 264.14794858 157.3
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.