CID 48402

66940-55-4

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)C)CC=C2CCCCC2
InChI
InChI=1S/C15H22N2O3/c1-3-15(10-9-11-7-5-4-6-8-11)12(18)16-14(20)17(2)13(15)19/h9H,3-8,10H2,1-2H3,(H,16,18,20)
InChIKey
AOTSLURHBHKLMV-UHFFFAOYSA-N
Compound name
5-(2-cyclohexylideneethyl)-5-ethyl-1-methyl-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

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17034 166.7
[M+Na]+ 301.15228 172.0
[M-H]- 277.15578 168.2
[M+NH4]+ 296.19688 181.2
[M+K]+ 317.12622 167.7
[M+H-H2O]+ 261.16032 159.1
[M+HCOO]- 323.16126 179.2
[M+CH3COO]- 337.17691 196.8
[M+Na-2H]- 299.13773 166.3
[M]+ 278.16251 160.1
[M]- 278.16361 160.1
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.