CID 16101

Brn 1685264

Structural Information

Molecular Formula

C₂₀H₂₁NO

SMILES

C1CCN(C1)CC(=O)C=C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO/c22-19(16-21-13-7-8-14-21)15-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,15H,7-8,13-14,16H2

InChIKey

YRSXLEZACFVLMW-UHFFFAOYSA-N

Compound name

4,4-diphenyl-1-pyrrolidin-1-ylbut-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.16232 Da
Monoisotopic Mass: 4.5
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]+	292.169596	171.9
[M+Na]+	314.151538	174.9
[M-H]-	290.155044	178.8
[M+NH4]+	309.196143	186.3
[M+K]+	330.125478	169.7
[M+H-H2O]+	274.159580	162.3
[M+HCOO]-	336.160521	190.7
[M+CH3COO]-	350.176171	181.5
[M+Na-2H]-	312.136986	171.8
[M]+	291.16177142	167.4
[M]-	291.16286858	167.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.