CID 52169

73680-96-3

Structural Information

Molecular Formula
C20H18N2O3
SMILES
C=CCC1(C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H18N2O3/c1-2-13-20(16-11-7-4-8-12-16)17(23)21-19(25)22(18(20)24)14-15-9-5-3-6-10-15/h2-12H,1,13-14H2,(H,21,23,25)
InChIKey
OSAVECUEMKXBPU-UHFFFAOYSA-N
Compound name
1-benzyl-5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.13174 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.139016 179.9
[M+Na]+ 357.120958 187.2
[M-H]- 333.124464 185.2
[M+NH4]+ 352.165563 191.5
[M+K]+ 373.094898 180.4
[M+H-H2O]+ 317.129000 169.6
[M+HCOO]- 379.129941 196.3
[M+CH3COO]- 393.145591 207.3
[M+Na-2H]- 355.106406 182.0
[M]+ 334.13119142 176.5
[M]- 334.13228858 176.5
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.