CID 82046

7545-24-6

Structural Information

Molecular Formula

C₂₀H₄₁NO₃

SMILES

CCCCCCCCCCCCCCCC(=O)N(CCO)CCO

InChI

InChI=1S/C20H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)21(16-18-22)17-19-23/h22-23H,2-19H2,1H3

InChIKey

VJESJEJNMGVQLZ-UHFFFAOYSA-N

Compound name

N,N-bis(2-hydroxyethyl)hexadecanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1580
Patents: 343.30865 Da
Monoisotopic Mass: 5.7
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]+	344.31593	195.4
[M+Na]+	366.29787	195.2
[M-H]-	342.30137	191.6
[M+NH4]+	361.34247	207.7
[M+K]+	382.27181	192.2
[M+H-H2O]+	326.30591	187.7
[M+HCOO]-	388.30685	212.9
[M+CH3COO]-	402.32250	217.4
[M+Na-2H]-	364.28332	192.2
[M]+	343.30810	201.4
[M]-	343.30920	201.4

Literature stripe

literature stripe

Patent stripe

patents stripe