CID 13978

1048-69-7

Structural Information

Molecular Formula
C20H26N2O3
SMILES
CCCCC1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C20H26N2O3/c1-2-3-14-17-18(23)21(15-10-6-4-7-11-15)20(25)22(19(17)24)16-12-8-5-9-13-16/h4,6-7,10-11,16-17H,2-3,5,8-9,12-14H2,1H3
InChIKey
DWBNPGMYLAYNNJ-UHFFFAOYSA-N
Compound name
5-butyl-1-cyclohexyl-3-phenyl-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]+ 343.201616 184.8
[M+Na]+ 365.183558 189.0
[M-H]- 341.187064 190.3
[M+NH4]+ 360.228163 194.8
[M+K]+ 381.157498 183.9
[M+H-H2O]+ 325.191600 173.9
[M+HCOO]- 387.192541 198.1
[M+CH3COO]- 401.208191 213.3
[M+Na-2H]- 363.169006 182.5
[M]+ 342.19379142 179.7
[M]- 342.19488858 179.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.