CID 44149468

94087-03-3

Structural Information

Molecular Formula

C₂₀H₄₀N₂O₄

SMILES

CCCCCCCCCCCCCC(=O)N(CCNCCO)CC(=O)O

InChI

InChI=1S/C20H40N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(24)22(18-20(25)26)16-14-21-15-17-23/h21,23H,2-18H2,1H3,(H,25,26)

InChIKey

XEHMIAACBOEJTD-UHFFFAOYSA-N

Compound name

2-[2-(2-hydroxyethylamino)ethyl-tetradecanoylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 372.2988 Da
Monoisotopic Mass: 2.2
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]+	373.306076	199.6
[M+Na]+	395.288018	198.4
[M-H]-	371.291524	195.8
[M+NH4]+	390.332623	214.2
[M+K]+	411.261958	196.2
[M+H-H2O]+	355.296060	191.3
[M+HCOO]-	417.297001	218.2
[M+CH3COO]-	431.312651	224.5
[M+Na-2H]-	393.273466	195.7
[M]+	372.29825142	204.8
[M]-	372.29934858	204.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe