CID 3053256

Brn 2877365

Structural Information

Molecular Formula

C₂₀H₃₃NO₃

SMILES

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

InChI

InChI=1S/C20H33NO3/c1-3-4-5-6-7-8-9-10-11-12-20(23)21-16-17-13-14-18(22)19(15-17)24-2/h13-15,22H,3-12,16H2,1-2H3,(H,21,23)

InChIKey

QXOUXETZELPRMZ-UHFFFAOYSA-N

Compound name

N-[(4-hydroxy-3-methoxyphenyl)methyl]dodecanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 6
Patents: 335.24603 Da
Monoisotopic Mass: 5.8
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]+	336.25331	186.7
[M+Na]+	358.23525	189.8
[M-H]-	334.23875	187.4
[M+NH4]+	353.27985	199.7
[M+K]+	374.20919	185.8
[M+H-H2O]+	318.24329	178.7
[M+HCOO]-	380.24423	206.9
[M+CH3COO]-	394.25988	214.5
[M+Na-2H]-	356.22070	186.1
[M]+	335.24548	191.6
[M]-	335.24658	191.6

Literature stripe

literature stripe

Patent stripe

patents stripe