CID 7223

Casamine sh

Structural Information

Molecular Formula

C₂₂H₄₄N₂O

SMILES

CCCCCCCCCCCCCCCCCC1=NCCN1CCO

InChI

InChI=1S/C22H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h25H,2-21H2,1H3

InChIKey

QJEBJKXTNSYBGE-UHFFFAOYSA-N

Compound name

2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 3103
Patents: 352.34537 Da
Monoisotopic Mass: 7.1
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]+	353.35265	197.6
[M+Na]+	375.33459	198.6
[M-H]-	351.33809	194.1
[M+NH4]+	370.37919	209.1
[M+K]+	391.30853	193.4
[M+H-H2O]+	335.34263	187.9
[M+HCOO]-	397.34357	213.1
[M+CH3COO]-	411.35922	216.4
[M+Na-2H]-	373.32004	194.2
[M]+	352.34482	202.4
[M]-	352.34592	202.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe