CID 3039287

2h-indol-2-one, 1,3-dihydro-3-methoxy-3-phenyl-1-(2-(1-piperidinyl)ethyl)-, (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula

C₂₂H₂₆N₂O₂

SMILES

COC1(C2=CC=CC=C2N(C1=O)CCN3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N2O2/c1-26-22(18-10-4-2-5-11-18)19-12-6-7-13-20(19)24(21(22)25)17-16-23-14-8-3-9-15-23/h2,4-7,10-13H,3,8-9,14-17H2,1H3

InChIKey

UDHLJYPUJBCLEB-UHFFFAOYSA-N

Compound name

3-methoxy-3-phenyl-1-(2-piperidin-1-ylethyl)indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 350.19943 Da
Monoisotopic Mass: 3.3
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]+	351.206706	187.0
[M+Na]+	373.188648	192.4
[M-H]-	349.192154	193.7
[M+NH4]+	368.233253	201.2
[M+K]+	389.162588	186.6
[M+H-H2O]+	333.196690	175.9
[M+HCOO]-	395.197631	202.5
[M+CH3COO]-	409.213281	195.9
[M+Na-2H]-	371.174096	187.7
[M]+	350.19888142	184.2
[M]-	350.19997858	184.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.