CID 30964

5-(2-cyclohexylidene-ethyl)-5-ethylbarbiturate

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)CC=C2CCCCC2
InChI
InChI=1S/C14H20N2O3/c1-2-14(9-8-10-6-4-3-5-7-10)11(17)15-13(19)16-12(14)18/h8H,2-7,9H2,1H3,(H2,15,16,17,18,19)
InChIKey
AVSLJNHOEKBNAF-UHFFFAOYSA-N
Compound name
5-(2-cyclohexylideneethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

26
References

15
Patents

264.1474 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 164.1
[M+Na]+ 287.13662 168.5
[M-H]- 263.14012 164.0
[M+NH4]+ 282.18122 178.2
[M+K]+ 303.11056 163.5
[M+H-H2O]+ 247.14466 156.6
[M+HCOO]- 309.14560 175.4
[M+CH3COO]- 323.16125 190.1
[M+Na-2H]- 285.12207 164.3
[M]+ 264.14685 154.9
[M]- 264.14795 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe