CID 37005

34943-99-2

Structural Information

Molecular Formula

C₂₀H₂₄N₂O₂

SMILES

CC1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)OCCN(C)C

InChI

InChI=1S/C20H24N2O2/c1-20(24-14-13-21(2)3)17-11-7-8-12-18(17)22(19(20)23)15-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3

InChIKey

VTMNBFOFBFYFCU-UHFFFAOYSA-N

Compound name

1-benzyl-3-[2-(dimethylamino)ethoxy]-3-methylindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 324.18378 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]+	325.191056	178.3
[M+Na]+	347.172998	185.7
[M-H]-	323.176504	185.9
[M+NH4]+	342.217603	196.3
[M+K]+	363.146938	181.9
[M+H-H2O]+	307.181040	169.6
[M+HCOO]-	369.181981	200.6
[M+CH3COO]-	383.197631	214.8
[M+Na-2H]-	345.158446	181.3
[M]+	324.18323142	182.2
[M]-	324.18432858	182.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.