CID 54277083

Schembl1615322

Structural Information

Molecular Formula

C₂₀H₂₅N

SMILES

CCC1C(CC(N1C)C)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19H,4,15H2,1-3H3

InChIKey

RODQCWPQPPLNGP-UHFFFAOYSA-N

Compound name

2-ethyl-1,5-dimethyl-3,3-diphenylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 279.1987 Da
Monoisotopic Mass: 5.2
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]+	280.205976	168.4
[M+Na]+	302.187918	175.6
[M-H]-	278.191424	176.8
[M+NH4]+	297.232523	186.9
[M+K]+	318.161858	170.1
[M+H-H2O]+	262.195960	159.8
[M+HCOO]-	324.196901	188.9
[M+CH3COO]-	338.212551	180.1
[M+Na-2H]-	300.173366	169.8
[M]+	279.19815142	166.8
[M]-	279.19924858	166.8

Literature stripe

literature stripe

Patent stripe

patents stripe