CID 6437219

Einecs 222-551-8

Structural Information

Molecular Formula

C₂₂H₄₃N₃

SMILES

CCCCCCCC/C=C/CCCCCCCC1=NCCN1CCN

InChI

InChI=1S/C22H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-19-21-25(22)20-18-23/h9-10H,2-8,11-21,23H2,1H3/b10-9+

InChIKey

DLIZJCBWTRNYKF-MDZDMXLPSA-N

Compound name

2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 12
Patents: 349.3457 Da
Monoisotopic Mass: 5.9
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]+	350.35298	196.5
[M+Na]+	372.33492	197.5
[M-H]-	348.33842	194.0
[M+NH4]+	367.37952	208.4
[M+K]+	388.30886	191.7
[M+H-H2O]+	332.34296	186.4
[M+HCOO]-	394.34390	213.9
[M+CH3COO]-	408.35955	219.9
[M+Na-2H]-	370.32037	193.1
[M]+	349.34515	199.2
[M]-	349.34625	199.2

Literature stripe

literature stripe

Patent stripe

patents stripe