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]+ 317.185956 175.4
[M+Na]+ 339.167898 181.9
[M-H]- 315.171404 177.6
[M+NH4]+ 334.212503 188.6
[M+K]+ 355.141838 177.4
[M+H-H2O]+ 299.175940 167.2
[M+HCOO]- 361.176881 190.2
[M+CH3COO]- 375.192531 206.8
[M+Na-2H]- 337.153346 175.4
[M]+ 316.17813142 174.4
[M]- 316.17922858 174.4
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.