CID 3023317

1-(1-cyclohexen-1-yl)-5,5-diethylbarbituric acid

Structural Information

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

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 161.7
[M+Na]+ 287.136618 168.1
[M-H]- 263.140124 163.7
[M+NH4]+ 282.181223 176.9
[M+K]+ 303.110558 164.4
[M+H-H2O]+ 247.144660 154.1
[M+HCOO]- 309.145601 175.9
[M+CH3COO]- 323.161251 194.8
[M+Na-2H]- 285.122066 162.8
[M]+ 264.14685142 157.0
[M]- 264.14794858 157.0
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.