CID 31740

Pridefine

Structural Information

Molecular Formula

C₁₉H₂₁N

SMILES

CCN1CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C1

InChI

InChI=1S/C19H21N/c1-2-20-14-13-18(15-20)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3

InChIKey

BJUHVJHOJBHLJS-UHFFFAOYSA-N

Compound name

3-benzhydrylidene-1-ethylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 352
Patents: 263.1674 Da
Monoisotopic Mass: 4.3
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]+	264.17468	164.4
[M+Na]+	286.15662	169.1
[M-H]-	262.16012	171.8
[M+NH4]+	281.20122	180.7
[M+K]+	302.13056	163.6
[M+H-H2O]+	246.16466	155.3
[M+HCOO]-	308.16560	184.3
[M+CH3COO]-	322.18125	175.2
[M+Na-2H]-	284.14207	165.4
[M]+	263.16685	160.0
[M]-	263.16795	160.0

Literature stripe

literature stripe

Patent stripe

patents stripe