CID 3012796

Chembl359913

Structural Information

Molecular Formula

C₂₁H₂₅N₃O₃

SMILES

CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC=C2)N3CCCC3=O)N(C)C)C

InChI

InChI=1S/C21H25N3O3/c1-5-16-13(2)22-21(27)19(23(3)4)18(16)20(26)14-8-6-9-15(12-14)24-11-7-10-17(24)25/h6,8-9,12H,5,7,10-11H2,1-4H3,(H,22,27)

InChIKey

BNCNGKDXQAOQCT-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-5-ethyl-6-methyl-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 367.1896 Da
Monoisotopic Mass: 1.7
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]+	368.196876	188.1
[M+Na]+	390.178818	195.2
[M-H]-	366.182324	195.9
[M+NH4]+	385.223423	199.4
[M+K]+	406.152758	190.5
[M+H-H2O]+	350.186860	178.6
[M+HCOO]-	412.187801	206.9
[M+CH3COO]-	426.203451	222.7
[M+Na-2H]-	388.164266	184.5
[M]+	367.18905142	188.7
[M]-	367.19014858	188.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.