CID 3073614

150988-83-3

Structural Information

Molecular Formula

C₂₇H₄₇NO₃

SMILES

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

InChI

InChI=1S/C27H47NO3/c1-4-5-6-7-8-10-13-16-23(2)17-14-11-9-12-15-18-27(30)28-22-24-19-20-25(29)26(21-24)31-3/h19-21,23,29H,4-18,22H2,1-3H3,(H,28,30)

InChIKey

DVJVFQDCZQZGRP-UHFFFAOYSA-N

Compound name

N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyloctadecanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 433.3556 Da
Monoisotopic Mass: 9.3
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]+	434.362876	218.4
[M+Na]+	456.344818	218.1
[M-H]-	432.348324	217.7
[M+NH4]+	451.389423	227.2
[M+K]+	472.318758	213.1
[M+H-H2O]+	416.352860	209.2
[M+HCOO]-	478.353801	235.1
[M+CH3COO]-	492.369451	235.9
[M+Na-2H]-	454.330266	212.9
[M]+	433.35505142	225.1
[M]-	433.35614858	225.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.