CID 48405

Brn 0270378

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CC(=CCC1(C(=O)NC(=O)NC1=O)C2CCCCC2)C
InChI
InChI=1S/C15H22N2O3/c1-10(2)8-9-15(11-6-4-3-5-7-11)12(18)16-14(20)17-13(15)19/h8,11H,3-7,9H2,1-2H3,(H2,16,17,18,19,20)
InChIKey
BFOXJJKDMUPJLG-UHFFFAOYSA-N
Compound name
5-cyclohexyl-5-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.16306 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.170336 168.0
[M+Na]+ 301.152278 171.7
[M-H]- 277.155784 167.7
[M+NH4]+ 296.196883 181.4
[M+K]+ 317.126218 167.0
[M+H-H2O]+ 261.160320 160.6
[M+HCOO]- 323.161261 178.0
[M+CH3COO]- 337.176911 194.1
[M+Na-2H]- 299.137726 166.6
[M]+ 278.16251142 158.5
[M]- 278.16360858 158.5
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

No patent data available for this compound.