CID 68122

Histapyrrodine

Structural Information

Molecular Formula

C₁₉H₂₄N₂

SMILES

C1CCN(C1)CCN(CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H24N2/c1-3-9-18(10-4-1)17-21(19-11-5-2-6-12-19)16-15-20-13-7-8-14-20/h1-6,9-12H,7-8,13-17H2

InChIKey

MXHODDGKGSGCDI-UHFFFAOYSA-N

Compound name

N-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 4
References: 562
Patents: 280.19394 Da
Monoisotopic Mass: 4.1
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]+	281.20122	170.6
[M+Na]+	303.18316	183.4
[M+NH4]+	298.22776	180.1
[M+K]+	319.15710	175.8
[M-H]-	279.18666	177.8
[M+Na-2H]-	301.16861	180.9
[M]+	280.19339	174.5
[M]-	280.19449	174.5

Literature stripe

literature stripe

Patent stripe

patents stripe