CID 206278

47311-59-1

Structural Information

Molecular Formula

C₁₉H₃₁NO₃

SMILES

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

InChI

InChI=1S/C19H31NO3/c1-3-4-5-6-7-8-9-10-11-19(22)20-15-16-12-13-17(21)18(14-16)23-2/h12-14,21H,3-11,15H2,1-2H3,(H,20,22)

InChIKey

PLYCKVKDTOBZTL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 26
Patents: 321.2304 Da
Monoisotopic Mass: 5.3
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]+	322.23768	182.2
[M+Na]+	344.21962	185.7
[M-H]-	320.22312	183.2
[M+NH4]+	339.26422	195.8
[M+K]+	360.19356	182.0
[M+H-H2O]+	304.22766	174.4
[M+HCOO]-	366.22860	202.7
[M+CH3COO]-	380.24425	211.5
[M+Na-2H]-	342.20507	182.2
[M]+	321.22985	186.7
[M]-	321.23095	186.7

Literature stripe

literature stripe

Patent stripe

patents stripe