CID 5282443

Triprolidine

Structural Information

Molecular Formula

C₁₉H₂₂N₂

SMILES

CC1=CC=C(C=C1)/C(=C\CN2CCCC2)/C3=CC=CC=N3

InChI

InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+

InChIKey

CBEQULMOCCWAQT-WOJGMQOQSA-N

Compound name

2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 392
References: 21753
Patents: 278.17828 Da
Monoisotopic Mass: 3.9
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]+	279.18556	168.6
[M+Na]+	301.16750	173.2
[M-H]-	277.17100	174.5
[M+NH4]+	296.21210	182.8
[M+K]+	317.14144	167.5
[M+H-H2O]+	261.17554	158.3
[M+HCOO]-	323.17648	187.1
[M+CH3COO]-	337.19213	178.6
[M+Na-2H]-	299.15295	169.6
[M]+	278.17773	164.6
[M]-	278.17883	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe