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]+ 287.10265 165.1
[M+Na]+ 309.08459 171.0
[M-H]- 285.08809 165.7
[M+NH4]+ 304.12919 176.1
[M+K]+ 325.05853 165.2
[M+H-H2O]+ 269.09263 156.6
[M+HCOO]- 331.09357 179.9
[M+CH3COO]- 345.10922 194.8
[M+Na-2H]- 307.07004 165.6
[M]+ 286.09482 160.2
[M]- 286.09592 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.