CID 14455181

Behenoyl diethanolamide

Structural Information

Molecular Formula

C₂₆H₅₃NO₃

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO

InChI

InChI=1S/C26H53NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(30)27(22-24-28)23-25-29/h28-29H,2-25H2,1H3

InChIKey

UWDGKUMOFQTNHC-UHFFFAOYSA-N

Compound name

N,N-bis(2-hydroxyethyl)docosanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 335
Patents: 427.40256 Da
Monoisotopic Mass: 8.9
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]+	428.40984	218.3
[M+Na]+	450.39178	221.8
[M+NH4]+	445.43638	229.0
[M+K]+	466.36572	229.3
[M-H]-	426.39528	217.2
[M+Na-2H]-	448.37723	215.1
[M]+	427.40201	217.4
[M]-	427.40311	217.4

Literature stripe

literature stripe

Patent stripe

patents stripe