CID 49363

67114-19-6

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)CCCC2=CC=CC=C2
InChI
InChI=1S/C15H18N2O3/c1-2-15(12(18)16-14(20)17-13(15)19)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H2,16,17,18,19,20)
InChIKey
PVYDXVYWEUNZRU-UHFFFAOYSA-N
Compound name
5-ethyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.13174 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 165.6
[M+Na]+ 297.12096 176.9
[M+NH4]+ 292.16556 172.4
[M+K]+ 313.09490 168.9
[M-H]- 273.12446 166.2
[M+Na-2H]- 295.10641 171.4
[M]+ 274.13119 167.2
[M]- 274.13229 167.2
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.