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]+ 279.17034 168.0
[M+Na]+ 301.15228 171.7
[M-H]- 277.15578 167.7
[M+NH4]+ 296.19688 181.4
[M+K]+ 317.12622 167.0
[M+H-H2O]+ 261.16032 160.6
[M+HCOO]- 323.16126 178.0
[M+CH3COO]- 337.17691 194.1
[M+Na-2H]- 299.13773 166.6
[M]+ 278.16251 158.5
[M]- 278.16361 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.