CID 52172

73680-98-5

Structural Information

Molecular Formula
C18H24N2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)CCC(C)C
InChI
InChI=1S/C18H24N2O3/c1-4-18(11-10-13(2)3)15(21)19-17(23)20(16(18)22)12-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3,(H,19,21,23)
InChIKey
JNFAJTHZJGSFSA-UHFFFAOYSA-N
Compound name
1-benzyl-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17868 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.18596 177.4
[M+Na]+ 339.16790 188.7
[M+NH4]+ 334.21250 183.9
[M+K]+ 355.14184 180.7
[M-H]- 315.17140 178.3
[M+Na-2H]- 337.15335 182.5
[M]+ 316.17813 179.1
[M]- 316.17923 179.1
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.