CID 74464

1753-47-5

Structural Information

Molecular Formula

C₁₃H₁₃N₃O₃

SMILES

CN(C)C1=CC=C(C=C1)C=C2C(=O)NC(=O)NC2=O

InChI

InChI=1S/C13H13N3O3/c1-16(2)9-5-3-8(4-6-9)7-10-11(17)14-13(19)15-12(10)18/h3-7H,1-2H3,(H2,14,15,17,18,19)

InChIKey

NAPLVLRBYHFCJP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 68
Patents: 259.0957 Da
Monoisotopic Mass: 1.1
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]+	260.10298	159.0
[M+Na]+	282.08492	169.9
[M+NH4]+	277.12952	164.1
[M+K]+	298.05886	165.1
[M-H]-	258.08842	160.0
[M+Na-2H]-	280.07037	163.3
[M]+	259.09515	160.3
[M]-	259.09625	160.3

Literature stripe

literature stripe

Patent stripe

patents stripe