CID 173238

74051-83-5

Structural Information

Molecular Formula

C₂₂H₄₉N₅O

SMILES

CCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN

InChI

InChI=1S/C22H49N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(28)27-21-20-26-19-18-25-17-16-24-15-14-23/h24-26H,2-21,23H2,1H3,(H,27,28)

InChIKey

XEBAOWPFXXTTNB-UHFFFAOYSA-N

Compound name

N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]tetradecanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 399.3937 Da
Monoisotopic Mass: 3.6
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]+	400.400976	203.0
[M+Na]+	422.382918	199.2
[M-H]-	398.386424	199.5
[M+NH4]+	417.427523	212.1
[M+K]+	438.356858	195.6
[M+H-H2O]+	382.390960	192.9
[M+HCOO]-	444.391901	225.3
[M+CH3COO]-	458.407551	241.1
[M+Na-2H]-	420.368366	201.5
[M]+	399.39315142	205.1
[M]-	399.39424858	205.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.