CID 7233

95-38-5

Structural Information

Molecular Formula

C₂₂H₄₂N₂O

SMILES

CCCCCCCCC=CCCCCCCCC1=NCCN1CCO

InChI

InChI=1S/C22H42N2O/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/h9-10,25H,2-8,11-21H2,1H3

InChIKey

WGTDLPBPQKAPMN-UHFFFAOYSA-N

Compound name

2-(2-heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1226
Patents: 350.3297 Da
Monoisotopic Mass: 6.2
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]+	351.33698	196.7
[M+Na]+	373.31892	198.1
[M-H]-	349.32242	193.3
[M+NH4]+	368.36352	208.3
[M+K]+	389.29286	192.3
[M+H-H2O]+	333.32696	187.1
[M+HCOO]-	395.32790	212.4
[M+CH3COO]-	409.34355	215.0
[M+Na-2H]-	371.30437	193.3
[M]+	350.32915	200.7
[M]-	350.33025	200.7

Literature stripe

literature stripe

Patent stripe

patents stripe