CID 6447153

Pyrrolidine, 1-(4-(2-(2-phenylethenyl)phenoxy)butyl)-, hydrochloride

Structural Information

Molecular Formula

C₂₂H₂₇NO

SMILES

C1CCN(C1)CCCCOC2=CC=CC=C2/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H27NO/c1-2-10-20(11-3-1)14-15-21-12-4-5-13-22(21)24-19-9-8-18-23-16-6-7-17-23/h1-5,10-15H,6-9,16-19H2/b15-14+

InChIKey

OIQVQOXTRFJBJH-CCEZHUSRSA-N

Compound name

1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 321.20926 Da
Monoisotopic Mass: 5.4
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]+	322.216536	181.0
[M+Na]+	344.198478	184.4
[M-H]-	320.201984	187.6
[M+NH4]+	339.243083	194.8
[M+K]+	360.172418	178.3
[M+H-H2O]+	304.206520	170.8
[M+HCOO]-	366.207461	200.9
[M+CH3COO]-	380.223111	206.6
[M+Na-2H]-	342.183926	181.5
[M]+	321.20871142	179.4
[M]-	321.20980858	179.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe