CID 2726034

Maybridge3_004872

Structural Information

Molecular Formula

C₁₇H₂₇NO₃

SMILES

CC(C)(C)CC(C)(C)NC(=O)C1=C(C=CC=C1OC)OC

InChI

InChI=1S/C17H27NO3/c1-16(2,3)11-17(4,5)18-15(19)14-12(20-6)9-8-10-13(14)21-7/h8-10H,11H2,1-7H3,(H,18,19)

InChIKey

JDKKETUMMFOHQQ-UHFFFAOYSA-N

Compound name

2,6-dimethoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 293.1991 Da
Monoisotopic Mass: 3.1
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]+	294.206376	171.4
[M+Na]+	316.188318	177.3
[M-H]-	292.191824	175.0
[M+NH4]+	311.232923	187.3
[M+K]+	332.162258	176.1
[M+H-H2O]+	276.196360	165.4
[M+HCOO]-	338.197301	191.1
[M+CH3COO]-	352.212951	208.3
[M+Na-2H]-	314.173766	175.1
[M]+	293.19855142	176.2
[M]-	293.19964858	176.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.