CID 20162

4192-33-0

Structural Information

Molecular Formula
C16H26N2O3
SMILES
CCCCCCC1C(=O)NC(=O)N(C1=O)C2CCCCC2
InChI
InChI=1S/C16H26N2O3/c1-2-3-4-8-11-13-14(19)17-16(21)18(15(13)20)12-9-6-5-7-10-12/h12-13H,2-11H2,1H3,(H,17,19,21)
InChIKey
MSNOVYXXOZYRDG-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-hexyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

306
Patents

294.19434 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.201616 173.5
[M+Na]+ 317.183558 176.9
[M-H]- 293.187064 174.2
[M+NH4]+ 312.228163 185.2
[M+K]+ 333.157498 172.5
[M+H-H2O]+ 277.191600 164.6
[M+HCOO]- 339.192541 185.3
[M+CH3COO]- 353.208191 201.7
[M+Na-2H]- 315.169006 171.2
[M]+ 294.19379142 167.6
[M]- 294.19488858 167.6
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

patents stripe