CID 24845089

2068-43-1

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₃

SMILES

CN(C)CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3O3/c1-17(2)9-8-14(10-6-4-3-5-7-10)11(18)15-13(20)16-12(14)19/h3-7H,8-9H2,1-2H3,(H2,15,16,18,19,20)

InChIKey

BMGSXJAWRHPRCZ-UHFFFAOYSA-N

Compound name

5-[2-(dimethylamino)ethyl]-5-phenyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 275.12698 Da
Monoisotopic Mass: 1.0
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]+	276.134256	162.6
[M+Na]+	298.116198	169.0
[M-H]-	274.119704	165.1
[M+NH4]+	293.160803	176.8
[M+K]+	314.090138	165.3
[M+H-H2O]+	258.124240	154.5
[M+HCOO]-	320.125181	179.8
[M+CH3COO]-	334.140831	198.7
[M+Na-2H]-	296.101646	165.8
[M]+	275.12643142	159.0
[M]-	275.12752858	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe