CID 62631

Schembl2948718

Structural Information

Molecular Formula

C₂₁H₄₀N₂

SMILES

CCCCCCCCC=CCCCCCCCCC1=NCCN1

InChI

InChI=1S/C21H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23-21/h9-10H,2-8,11-20H2,1H3,(H,22,23)

InChIKey

QULUVEPNTKJBMR-UHFFFAOYSA-N

Compound name

2-octadec-9-enyl-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 410
Patents: 320.31915 Da
Monoisotopic Mass: 7.2
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]+	321.326426	189.4
[M+Na]+	343.308368	190.4
[M-H]-	319.311874	185.8
[M+NH4]+	338.352973	202.0
[M+K]+	359.282308	184.4
[M+H-H2O]+	303.316410	179.8
[M+HCOO]-	365.317351	205.3
[M+CH3COO]-	379.333001	209.1
[M+Na-2H]-	341.293816	187.2
[M]+	320.31860142	191.3
[M]-	320.31969858	191.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe