CID 13325

Brn 0694287

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CCC1C(=O)N(C(=O)N(C1=O)C2CCCCC2)C3CCCCC3
InChI
InChI=1S/C18H28N2O3/c1-2-15-16(21)19(13-9-5-3-6-10-13)18(23)20(17(15)22)14-11-7-4-8-12-14/h13-15H,2-12H2,1H3
InChIKey
YTKIPBSQWDAMQR-UHFFFAOYSA-N
Compound name
1,3-dicyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.217276 180.9
[M+Na]+ 343.199218 182.9
[M-H]- 319.202724 185.5
[M+NH4]+ 338.243823 191.6
[M+K]+ 359.173158 178.9
[M+H-H2O]+ 303.207260 170.5
[M+HCOO]- 365.208201 190.4
[M+CH3COO]- 379.223851 208.6
[M+Na-2H]- 341.184666 176.5
[M]+ 320.20945142 170.9
[M]- 320.21054858 170.9
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.