CID 205918

19011-62-2

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₃

SMILES

CCCC1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C13H14N2O3/c1-2-6-10-11(16)14-13(18)15(12(10)17)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H,14,16,18)

InChIKey

RLYZEKMBXUILGY-UHFFFAOYSA-N

Compound name

1-phenyl-5-propyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.10045 Da
Monoisotopic Mass: 2.0
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]+	247.107726	155.2
[M+Na]+	269.089668	163.2
[M-H]-	245.093174	157.8
[M+NH4]+	264.134273	169.2
[M+K]+	285.063608	158.8
[M+H-H2O]+	229.097710	147.0
[M+HCOO]-	291.098651	172.6
[M+CH3COO]-	305.114301	191.4
[M+Na-2H]-	267.075116	157.6
[M]+	246.09990142	152.6
[M]-	246.10099858	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe