CID 48401

66940-54-3

Structural Information

Molecular Formula
C20H26N2O3
SMILES
C1CCC(CC1)CCC2(C(=O)NC(=O)NC2=O)CCC3=CC=CC=C3
InChI
InChI=1S/C20H26N2O3/c23-17-20(18(24)22-19(25)21-17,13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1,3-4,7-8,16H,2,5-6,9-14H2,(H2,21,22,23,24,25)
InChIKey
HYDHGWYBEYFQAS-UHFFFAOYSA-N
Compound name
5-(2-cyclohexylethyl)-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.19434 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 186.4
[M+Na]+ 365.18356 196.8
[M+NH4]+ 360.22816 193.3
[M+K]+ 381.15750 187.8
[M-H]- 341.18706 189.1
[M+Na-2H]- 363.16901 192.3
[M]+ 342.19379 188.4
[M]- 342.19489 188.4
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.