CID 37678

2,3-dihydro-3-ethyl-1-(3-(morpholino)propyl)-3-phenyl-1h-indole oxalate

Structural Information

Molecular Formula

C₂₃H₃₀N₂O

SMILES

CCC1(C(NC2=CC=CC=C21)CCCN3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H30N2O/c1-2-23(19-9-4-3-5-10-19)20-11-6-7-12-21(20)24-22(23)13-8-14-25-15-17-26-18-16-25/h3-7,9-12,22,24H,2,8,13-18H2,1H3

InChIKey

BNUNFYQDRKKLFC-UHFFFAOYSA-N

Compound name

4-[3-(3-ethyl-3-phenyl-1,2-dihydroindol-2-yl)propyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 350.2358 Da
Monoisotopic Mass: 4.7
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]+	351.243076	188.4
[M+Na]+	373.225018	192.1
[M-H]-	349.228524	193.8
[M+NH4]+	368.269623	200.6
[M+K]+	389.198958	186.2
[M+H-H2O]+	333.233060	177.5
[M+HCOO]-	395.234001	200.9
[M+CH3COO]-	409.249651	196.1
[M+Na-2H]-	371.210466	189.3
[M]+	350.23525142	183.7
[M]-	350.23634858	183.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.