CID 26520

14167-72-7

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CC=C)C2=CC=CC=C2
InChI
InChI=1S/C15H16N2O3/c1-3-10-17-13(19)15(4-2,12(18)16-14(17)20)11-8-6-5-7-9-11/h3,5-9H,1,4,10H2,2H3,(H,16,18,20)
InChIKey
YQXRJLHVCIHNEG-UHFFFAOYSA-N
Compound name
5-ethyl-5-phenyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1161 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 164.0
[M+Na]+ 295.10532 176.3
[M+NH4]+ 290.14992 170.8
[M+K]+ 311.07926 168.1
[M-H]- 271.10882 164.9
[M+Na-2H]- 293.09077 170.1
[M]+ 272.11555 165.8
[M]- 272.11665 165.8
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.