CID 48399

66940-53-2

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)CCC2CCCCC2
InChI
InChI=1S/C14H22N2O3/c1-2-14(9-8-10-6-4-3-5-7-10)11(17)15-13(19)16-12(14)18/h10H,2-9H2,1H3,(H2,15,16,17,18,19)
InChIKey
WWCWIYDXKQKYNR-UHFFFAOYSA-N
Compound name
5-(2-cyclohexylethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.16306 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.170336 165.0
[M+Na]+ 289.152278 169.0
[M-H]- 265.155784 164.8
[M+NH4]+ 284.196883 179.0
[M+K]+ 305.126218 164.6
[M+H-H2O]+ 249.160320 157.4
[M+HCOO]- 311.161261 176.1
[M+CH3COO]- 325.176911 191.6
[M+Na-2H]- 287.137726 165.3
[M]+ 266.16251142 156.6
[M]- 266.16360858 156.6
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.