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]+ 273.123376 161.4
[M+Na]+ 295.105318 169.8
[M-H]- 271.108824 164.1
[M+NH4]+ 290.149923 176.4
[M+K]+ 311.079258 164.8
[M+H-H2O]+ 255.113360 153.6
[M+HCOO]- 317.114301 178.4
[M+CH3COO]- 331.129951 196.2
[M+Na-2H]- 293.090766 164.1
[M]+ 272.11555142 159.2
[M]- 272.11664858 159.2
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.