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]+ 321.21728 180.9
[M+Na]+ 343.19922 182.9
[M-H]- 319.20272 185.5
[M+NH4]+ 338.24382 191.6
[M+K]+ 359.17316 178.9
[M+H-H2O]+ 303.20726 170.5
[M+HCOO]- 365.20820 190.4
[M+CH3COO]- 379.22385 208.6
[M+Na-2H]- 341.18467 176.5
[M]+ 320.20945 170.9
[M]- 320.21055 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.