CID 5467271

Nsc649575

Structural Information

Molecular Formula
C15H14N2O4
SMILES
C1=CC=C(C=C1)/C=C/C(=O)CCC2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C15H14N2O4/c18-11(7-6-10-4-2-1-3-5-10)8-9-12-13(19)16-15(21)17-14(12)20/h1-7,12H,8-9H2,(H2,16,17,19,20,21)/b7-6+
InChIKey
MOWHELJQHRTZST-VOTSOKGWSA-N
Compound name
5-[(E)-3-oxo-5-phenylpent-4-enyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.09537 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.102646 165.1
[M+Na]+ 309.084588 171.0
[M-H]- 285.088094 165.7
[M+NH4]+ 304.129193 176.1
[M+K]+ 325.058528 165.2
[M+H-H2O]+ 269.092630 156.6
[M+HCOO]- 331.093571 179.9
[M+CH3COO]- 345.109221 194.8
[M+Na-2H]- 307.070036 165.6
[M]+ 286.09482142 160.2
[M]- 286.09591858 160.2
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.