CID 33273

2-imidazoline, 2-phenethyl-

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

C1CN=C(N1)CCC2=CC=CC=C2

InChI

InChI=1S/C11H14N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-5H,6-9H2,(H,12,13)

InChIKey

CPMMXSDLEOJRHI-UHFFFAOYSA-N

Compound name

2-(2-phenylethyl)-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 21
Patents: 174.11569 Da
Monoisotopic Mass: 2.9
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]+	175.12297	139.8
[M+Na]+	197.10491	152.4
[M+NH4]+	192.14951	148.5
[M+K]+	213.07885	146.6
[M-H]-	173.10841	142.6
[M+Na-2H]-	195.09036	147.9
[M]+	174.11514	142.3
[M]-	174.11624	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe