CID 480998

Chembl434058

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₂

SMILES

CCC1=CC(=C(N=C1C)OC)NC(=O)C(C)(C)C

InChI

InChI=1S/C14H22N2O2/c1-7-10-8-11(12(18-6)15-9(10)2)16-13(17)14(3,4)5/h8H,7H2,1-6H3,(H,16,17)

InChIKey

YNOHDVUYAXBTFK-UHFFFAOYSA-N

Compound name

N-(5-ethyl-2-methoxy-6-methylpyridin-3-yl)-2,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 250.16812 Da
Monoisotopic Mass: 2.9
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]+	251.17540	160.1
[M+Na]+	273.15734	167.9
[M-H]-	249.16084	163.0
[M+NH4]+	268.20194	176.7
[M+K]+	289.13128	166.1
[M+H-H2O]+	233.16538	153.6
[M+HCOO]-	295.16632	180.9
[M+CH3COO]-	309.18197	200.5
[M+Na-2H]-	271.14279	163.6
[M]+	250.16757	163.8
[M]-	250.16867	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe