CID 206224

43164-06-3

Structural Information

Molecular Formula
C18H24N2O4
SMILES
CCCCOCN1C(=O)C(C(=O)N(C1=O)C)(CC)C2=CC=CC=C2
InChI
InChI=1S/C18H24N2O4/c1-4-6-12-24-13-20-16(22)18(5-2,14-10-8-7-9-11-14)15(21)19(3)17(20)23/h7-11H,4-6,12-13H2,1-3H3
InChIKey
KCEDWXGLFSTNKM-UHFFFAOYSA-N
Compound name
1-(butoxymethyl)-5-ethyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1736 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18088 180.0
[M+Na]+ 355.16282 192.1
[M+NH4]+ 350.20742 186.4
[M+K]+ 371.13676 183.7
[M-H]- 331.16632 181.2
[M+Na-2H]- 353.14827 185.4
[M]+ 332.17305 182.0
[M]- 332.17415 182.0
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.