CID 81683

7261-63-4

Structural Information

Molecular Formula

C₂₂H₄₉N₃

SMILES

CCCCCCCCCCCCCCCCCCNCCNCCN

InChI

InChI=1S/C22H49N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h24-25H,2-23H2,1H3

InChIKey

DBNYMXPUYZOHQN-UHFFFAOYSA-N

Compound name

N'-[2-(octadecylamino)ethyl]ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 179
Patents: 355.39264 Da
Monoisotopic Mass: 7.3
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]+	356.39992	198.3
[M+Na]+	378.38186	196.2
[M-H]-	354.38536	194.7
[M+NH4]+	373.42646	210.2
[M+K]+	394.35580	191.5
[M+H-H2O]+	338.38990	189.4
[M+HCOO]-	400.39084	219.2
[M+CH3COO]-	414.40649	229.5
[M+Na-2H]-	376.36731	196.9
[M]+	355.39209	202.2
[M]-	355.39319	202.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe