CID 68214

Dioxypyramidon

Structural Information

Molecular Formula

C₁₃H₁₇N₃O₃

SMILES

CC(=O)N(C)N(C1=CC=CC=C1)C(=O)C(=O)N(C)C

InChI

InChI=1S/C13H17N3O3/c1-10(17)15(4)16(11-8-6-5-7-9-11)13(19)12(18)14(2)3/h5-9H,1-4H3

InChIKey

IRTZMJWVZQYURE-UHFFFAOYSA-N

Compound name

2-(N-[acetyl(methyl)amino]anilino)-N,N-dimethyl-2-oxoacetamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 3
Patents: 263.12698 Da
Monoisotopic Mass: 0.9
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]+	264.13426	161.7
[M+Na]+	286.11620	165.6
[M-H]-	262.11970	169.3
[M+NH4]+	281.16080	178.9
[M+K]+	302.09014	168.4
[M+H-H2O]+	246.12424	153.6
[M+HCOO]-	308.12518	187.8
[M+CH3COO]-	322.14083	211.6
[M+Na-2H]-	284.10165	162.8
[M]+	263.12643	164.5
[M]-	263.12753	164.5

Literature stripe

literature stripe

Patent stripe

patents stripe