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]+ 279.170336 166.7
[M+Na]+ 301.152278 172.0
[M-H]- 277.155784 168.2
[M+NH4]+ 296.196883 181.2
[M+K]+ 317.126218 167.7
[M+H-H2O]+ 261.160320 159.1
[M+HCOO]- 323.161261 179.2
[M+CH3COO]- 337.176911 196.8
[M+Na-2H]- 299.137726 166.3
[M]+ 278.16251142 160.1
[M]- 278.16360858 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.