CID 37011

1-benzyl-3-(3-(diethylamino)propoxy)-3-methyl-2-indolinone oxalate

Structural Information

Molecular Formula

C₂₃H₃₀N₂O₂

SMILES

CCN(CC)CCCOC1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H30N2O2/c1-4-24(5-2)16-11-17-27-23(3)20-14-9-10-15-21(20)25(22(23)26)18-19-12-7-6-8-13-19/h6-10,12-15H,4-5,11,16-18H2,1-3H3

InChIKey

UHSQRFYPOMOISK-UHFFFAOYSA-N

Compound name

1-benzyl-3-[3-(diethylamino)propoxy]-3-methylindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 366.23074 Da
Monoisotopic Mass: 3.7
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]+	367.238016	192.0
[M+Na]+	389.219958	197.9
[M-H]-	365.223464	198.8
[M+NH4]+	384.264563	208.1
[M+K]+	405.193898	193.5
[M+H-H2O]+	349.228000	182.6
[M+HCOO]-	411.228941	213.1
[M+CH3COO]-	425.244591	223.6
[M+Na-2H]-	387.205406	193.3
[M]+	366.23019142	196.8
[M]-	366.23128858	196.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.