CID 5095

Ropinirole

Structural Information

Molecular Formula

C₁₆H₂₄N₂O

SMILES

CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1

InChI

InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)

InChIKey

UHSKFQJFRQCDBE-UHFFFAOYSA-N

Compound name

4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 996
References: 31370
Patents: 260.18887 Da
Monoisotopic Mass: 2.7
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]+	261.19615	164.3
[M+Na]+	283.17809	174.3
[M+NH4]+	278.22269	172.0
[M+K]+	299.15203	168.8
[M-H]-	259.18159	166.0
[M+Na-2H]-	281.16354	167.7
[M]+	260.18832	165.9
[M]-	260.18942	165.9

Literature stripe

literature stripe

Patent stripe

patents stripe