CID 213624

Brn 0498799

Structural Information

Molecular Formula

C₂₃H₂₇N₃O₂

SMILES

COC1=CC=CC=C1C(=O)NC2CCN(CC2)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O2/c1-28-22-9-5-3-7-20(22)23(27)25-18-11-14-26(15-12-18)13-10-17-16-24-21-8-4-2-6-19(17)21/h2-9,16,18,24H,10-15H2,1H3,(H,25,27)

InChIKey

HAJHYYKYINLAAJ-UHFFFAOYSA-N

Compound name

N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-2-methoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 377.21033 Da
Monoisotopic Mass: 3.8
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]+	378.217606	190.9
[M+Na]+	400.199548	195.1
[M-H]-	376.203054	196.7
[M+NH4]+	395.244153	201.1
[M+K]+	416.173488	188.4
[M+H-H2O]+	360.207590	180.1
[M+HCOO]-	422.208531	207.5
[M+CH3COO]-	436.224181	198.8
[M+Na-2H]-	398.184996	191.8
[M]+	377.20978142	188.1
[M]-	377.21087858	188.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe