CID 304583

50884-83-8

Structural Information

Molecular Formula
C19H18N2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H18N2O3/c1-2-19(15-11-7-4-8-12-15)16(22)20-18(24)21(17(19)23)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,20,22,24)
InChIKey
DZVQJRKACDFACI-UHFFFAOYSA-N
Compound name
1-benzyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

322.13174 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.139016 176.7
[M+Na]+ 345.120958 184.2
[M-H]- 321.124464 182.2
[M+NH4]+ 340.165563 188.9
[M+K]+ 361.094898 178.2
[M+H-H2O]+ 305.129000 166.5
[M+HCOO]- 367.129941 193.3
[M+CH3COO]- 381.145591 205.0
[M+Na-2H]- 343.106406 179.3
[M]+ 322.13119142 173.7
[M]- 322.13228858 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.