CID 13082

786-56-1

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₃

SMILES

C=CCC1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C13H12N2O3/c1-2-6-10-11(16)14-13(18)15(12(10)17)9-7-4-3-5-8-9/h2-5,7-8,10H,1,6H2,(H,14,16,18)

InChIKey

MHZWCBPOTIWXCV-UHFFFAOYSA-N

Compound name

1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 244.0848 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.092076	153.9
[M+Na]+	267.074018	162.1
[M-H]-	243.077524	156.5
[M+NH4]+	262.118623	167.9
[M+K]+	283.047958	157.1
[M+H-H2O]+	227.082060	145.7
[M+HCOO]-	289.083001	171.5
[M+CH3COO]-	303.098651	190.6
[M+Na-2H]-	265.059466	156.3
[M]+	244.08425142	150.6
[M]-	244.08534858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe