CID 3564332

N-(3,4-dimethoxybenzyl)octanamide

Structural Information

Molecular Formula

C₁₇H₂₇NO₃

SMILES

CCCCCCCC(=O)NCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C17H27NO3/c1-4-5-6-7-8-9-17(19)18-13-14-10-11-15(20-2)16(12-14)21-3/h10-12H,4-9,13H2,1-3H3,(H,18,19)

InChIKey

PDNJQJUFMCECTJ-UHFFFAOYSA-N

Compound name

N-[(3,4-dimethoxyphenyl)methyl]octanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 293.1991 Da
Monoisotopic Mass: 3.6
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	172.9
[M+Na]+	316.188318	177.7
[M-H]-	292.191824	175.7
[M+NH4]+	311.232923	188.4
[M+K]+	332.162258	175.4
[M+H-H2O]+	276.196360	165.3
[M+HCOO]-	338.197301	195.6
[M+CH3COO]-	352.212951	208.0
[M+Na-2H]-	314.173766	174.4
[M]+	293.19855142	178.6
[M]-	293.19964858	178.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe