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]+ 335.13902 179.9
[M+Na]+ 357.12096 187.2
[M-H]- 333.12446 185.2
[M+NH4]+ 352.16556 191.5
[M+K]+ 373.09490 180.4
[M+H-H2O]+ 317.12900 169.6
[M+HCOO]- 379.12994 196.3
[M+CH3COO]- 393.14559 207.3
[M+Na-2H]- 355.10641 182.0
[M]+ 334.13119 176.5
[M]- 334.13229 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.