CID 7744

2-heptadecyl-2-imidazoline

Structural Information

Molecular Formula

C₂₀H₄₀N₂

SMILES

CCCCCCCCCCCCCCCCCC1=NCCN1

InChI

InChI=1S/C20H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h2-19H2,1H3,(H,21,22)

InChIKey

NCVGSSQICKMAIA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 8219
Patents: 308.31915 Da
Monoisotopic Mass: 7.6
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]+	309.32643	186.1
[M+Na]+	331.30837	193.8
[M+NH4]+	326.35297	192.0
[M+K]+	347.28231	186.3
[M-H]-	307.31187	185.6
[M+Na-2H]-	329.29382	187.5
[M]+	308.31860	186.7
[M]-	308.31970	186.7

Literature stripe

literature stripe

Patent stripe

patents stripe