CID 62813

26635-92-7

Structural Information

Molecular Formula

C₂₆H₅₅NO₄

SMILES

CCCCCCCCCCCCCCCCCCN(CCOCCO)CCOCCO

InChI

InChI=1S/C26H55NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(19-23-30-25-21-28)20-24-31-26-22-29/h28-29H,2-26H2,1H3

InChIKey

IEXQFYPEUSYMHN-UHFFFAOYSA-N

Compound name

2-[2-[2-(2-hydroxyethoxy)ethyl-octadecylamino]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 326
Patents: 445.41312 Da
Monoisotopic Mass: 7.4
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]+	446.420396	223.0
[M+Na]+	468.402338	220.0
[M-H]-	444.405844	221.3
[M+NH4]+	463.446943	231.5
[M+K]+	484.376278	216.3
[M+H-H2O]+	428.410380	213.8
[M+HCOO]-	490.411321	241.2
[M+CH3COO]-	504.426971	237.4
[M+Na-2H]-	466.387786	218.3
[M]+	445.41257142	232.6
[M]-	445.41366858	232.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe