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

3
Patents

332.1736 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.180876 177.0
[M+Na]+ 355.162818 184.9
[M-H]- 331.166324 180.8
[M+NH4]+ 350.207423 190.5
[M+K]+ 371.136758 181.4
[M+H-H2O]+ 315.170860 168.3
[M+HCOO]- 377.171801 194.4
[M+CH3COO]- 391.187451 211.8
[M+Na-2H]- 353.148266 178.1
[M]+ 332.17305142 180.3
[M]- 332.17414858 180.3
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

patents stripe