CID 481021

Chembl129115

Structural Information

Molecular Formula

C₂₃H₃₂N₂O₃

SMILES

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

InChI

InChI=1S/C23H32N2O3/c1-9-17-15(4)24-20(26)19(25-21(27)22(5,6)7)18(17)23(8,28)16-11-13(2)10-14(3)12-16/h10-12,28H,9H2,1-8H3,(H,24,26)(H,25,27)

InChIKey

JBTJTBYBSVJKAA-UHFFFAOYSA-N

Compound name

N-[4-[1-(3,5-dimethylphenyl)-1-hydroxyethyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]-2,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 384.2413 Da
Monoisotopic Mass: 3.5
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]+	385.248576	195.9
[M+Na]+	407.230518	203.1
[M-H]-	383.234024	199.5
[M+NH4]+	402.275123	205.8
[M+K]+	423.204458	198.2
[M+H-H2O]+	367.238560	188.6
[M+HCOO]-	429.239501	210.6
[M+CH3COO]-	443.255151	224.4
[M+Na-2H]-	405.215966	195.6
[M]+	384.24075142	197.8
[M]-	384.24184858	197.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.