CID 76038

2791-37-9

Structural Information

Molecular Formula

C₂₄H₅₀N₄

SMILES

CCCCCCCCCCCCCCCCCC1=NCCN1CCNCCN

InChI

InChI=1S/C24H50N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-27-21-23-28(24)22-20-26-19-18-25/h26H,2-23,25H2,1H3

InChIKey

IVCPSJKBLYOZEG-UHFFFAOYSA-N

Compound name

N'-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 394.40353 Da
Monoisotopic Mass: 6.4
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]+	395.410806	207.2
[M+Na]+	417.392748	206.0
[M-H]-	393.396254	204.2
[M+NH4]+	412.437353	216.8
[M+K]+	433.366688	200.4
[M+H-H2O]+	377.400790	196.2
[M+HCOO]-	439.401731	224.8
[M+CH3COO]-	453.417381	232.2
[M+Na-2H]-	415.378196	203.6
[M]+	394.40298142	210.7
[M]-	394.40407858	210.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe