CID 171762

Einecs 266-198-8

Structural Information

Molecular Formula

C₁₉H₄₀N₂O₃

SMILES

CCCCCCCCCCCC(=O)NCCCN(CCO)CCO

InChI

InChI=1S/C19H40N2O3/c1-2-3-4-5-6-7-8-9-10-12-19(24)20-13-11-14-21(15-17-22)16-18-23/h22-23H,2-18H2,1H3,(H,20,24)

InChIKey

OQRZKRYPYZNLFV-UHFFFAOYSA-N

Compound name

N-[3-[bis(2-hydroxyethyl)amino]propyl]dodecanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 344.3039 Da
Monoisotopic Mass: 3.7
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]+	345.31118	193.5
[M+Na]+	367.29312	192.7
[M-H]-	343.29662	189.7
[M+NH4]+	362.33772	205.3
[M+K]+	383.26706	190.1
[M+H-H2O]+	327.30116	185.3
[M+HCOO]-	389.30210	212.3
[M+CH3COO]-	403.31775	219.5
[M+Na-2H]-	365.27857	191.2
[M]+	344.30335	198.2
[M]-	344.30445	198.2

Literature stripe

literature stripe

Patent stripe

patents stripe