CID 3012799

Chembl182707

Structural Information

Molecular Formula

C₂₀H₂₅N₃O₃

SMILES

CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)CNC(=O)C)N(C)C)C

InChI

InChI=1S/C20H25N3O3/c1-6-16-12(2)22-20(26)18(23(4)5)17(16)19(25)15-9-7-8-14(10-15)11-21-13(3)24/h7-10H,6,11H2,1-5H3,(H,21,24)(H,22,26)

InChIKey

HNIINHYMVXSHHT-UHFFFAOYSA-N

Compound name

N-[[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 355.1896 Da
Monoisotopic Mass: 1.4
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]+	356.196876	186.2
[M+Na]+	378.178818	192.7
[M-H]-	354.182324	192.1
[M+NH4]+	373.223423	197.4
[M+K]+	394.152758	189.2
[M+H-H2O]+	338.186860	177.0
[M+HCOO]-	400.187801	207.3
[M+CH3COO]-	414.203451	224.8
[M+Na-2H]-	376.164266	184.9
[M]+	355.18905142	188.7
[M]-	355.19014858	188.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.