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 175.4
[M+Na]+ 339.16790 181.9
[M-H]- 315.17140 177.6
[M+NH4]+ 334.21250 188.6
[M+K]+ 355.14184 177.4
[M+H-H2O]+ 299.17594 167.2
[M+HCOO]- 361.17688 190.2
[M+CH3COO]- 375.19253 206.8
[M+Na-2H]- 337.15335 175.4
[M]+ 316.17813 174.4
[M]- 316.17923 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.