CID 5354474

Barbituric acid, 5-cinnamyl-5-ethyl-, sodium salt

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C15H16N2O3/c1-2-15(12(18)16-14(20)17-13(15)19)10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3,(H2,16,17,18,19,20)/b9-6+
InChIKey
MJQHOCCPSSFQPD-RMKNXTFCSA-N
Compound name
5-ethyl-5-[(E)-3-phenylprop-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

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.123376 163.4
[M+Na]+ 295.105318 170.4
[M-H]- 271.108824 164.3
[M+NH4]+ 290.149923 177.3
[M+K]+ 311.079258 164.5
[M+H-H2O]+ 255.113360 155.6
[M+HCOO]- 317.114301 178.8
[M+CH3COO]- 331.129951 191.9
[M+Na-2H]- 293.090766 166.2
[M]+ 272.11555142 158.8
[M]- 272.11664858 158.8
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.