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]+ 323.13902 176.7
[M+Na]+ 345.12096 184.2
[M-H]- 321.12446 182.2
[M+NH4]+ 340.16556 188.9
[M+K]+ 361.09490 178.2
[M+H-H2O]+ 305.12900 166.5
[M+HCOO]- 367.12994 193.3
[M+CH3COO]- 381.14559 205.0
[M+Na-2H]- 343.10641 179.3
[M]+ 322.13119 173.7
[M]- 322.13229 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.