CID 19374445

4-n-dodecyloxybenzamide

Structural Information

Molecular Formula

C₁₉H₃₁NO₂

SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)N

InChI

InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-11-16-22-18-14-12-17(13-15-18)19(20)21/h12-15H,2-11,16H2,1H3,(H2,20,21)

InChIKey

SQHZUTLJHWVEDH-UHFFFAOYSA-N

Compound name

4-dodecoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 151
Patents: 305.23547 Da
Monoisotopic Mass: 6.5
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]+	306.242746	179.7
[M+Na]+	328.224688	182.7
[M-H]-	304.228194	181.1
[M+NH4]+	323.269293	194.0
[M+K]+	344.198628	178.8
[M+H-H2O]+	288.232730	171.6
[M+HCOO]-	350.233671	200.9
[M+CH3COO]-	364.249321	210.8
[M+Na-2H]-	326.210136	179.7
[M]+	305.23492142	183.3
[M]-	305.23601858	183.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe