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 185.5
[M+Na]+ 365.18356 188.0
[M-H]- 341.18706 187.7
[M+NH4]+ 360.22816 195.5
[M+K]+ 381.15750 181.6
[M+H-H2O]+ 325.19160 175.2
[M+HCOO]- 387.19254 195.8
[M+CH3COO]- 401.20819 205.6
[M+Na-2H]- 363.16901 184.8
[M]+ 342.19379 176.3
[M]- 342.19489 176.3
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.