CID 4905

Prifinium

Structural Information

Molecular Formula

C₂₂H₂₈N

SMILES

CC[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C1C)CC

InChI

InChI=1S/C22H28N/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18H,4-5,16-17H2,1-3H3/q+1

InChIKey

ZYEPZINLLPPBMI-UHFFFAOYSA-N

Compound name

3-benzhydrylidene-1,1-diethyl-2-methylpyrrolidin-1-ium

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 21
References: 983
Patents: 306.22217 Da
Monoisotopic Mass: 5.1
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]+	307.22945	178.7
[M+Na]+	329.21139	183.7
[M-H]-	305.21489	186.5
[M+NH4]+	324.25599	195.5
[M+K]+	345.18533	172.0
[M+H-H2O]+	289.21943	172.3
[M+HCOO]-	351.22037	197.1
[M+CH3COO]-	365.23602	199.5
[M+Na-2H]-	327.19684	180.5
[M]+	306.22162	174.3
[M]-	306.22272	174.3

Literature stripe

literature stripe

Patent stripe

patents stripe