CID 224765

2-pentadecylimidazoline

Structural Information

Molecular Formula

C₁₈H₃₆N₂

SMILES

CCCCCCCCCCCCCCCC1=NCCN1

InChI

InChI=1S/C18H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-19-16-17-20-18/h2-17H2,1H3,(H,19,20)

InChIKey

KSJKFYTZUCKVFT-UHFFFAOYSA-N

Compound name

2-pentadecyl-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 416
Patents: 280.28784 Da
Monoisotopic Mass: 6.6
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]+	281.295116	177.3
[M+Na]+	303.277058	179.3
[M-H]-	279.280564	174.2
[M+NH4]+	298.321663	191.6
[M+K]+	319.250998	174.6
[M+H-H2O]+	263.285100	168.2
[M+HCOO]-	325.286041	194.0
[M+CH3COO]-	339.301691	201.6
[M+Na-2H]-	301.262506	176.7
[M]+	280.28729142	178.9
[M]-	280.28838858	178.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe