CID 58558

101586-49-6

Structural Information

Molecular Formula

C₁₆H₂₀N₂O₂

SMILES

CCN(CC)C(=O)C(=O)C1=C(N(C2=CC=CC=C21)C)C

InChI

InChI=1S/C16H20N2O2/c1-5-18(6-2)16(20)15(19)14-11(3)17(4)13-10-8-7-9-12(13)14/h7-10H,5-6H2,1-4H3

InChIKey

MAQFPPUOIJSKQL-UHFFFAOYSA-N

Compound name

2-(1,2-dimethylindol-3-yl)-N,N-diethyl-2-oxoacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 272.15247 Da
Monoisotopic Mass: 2.5
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]+	273.159746	164.1
[M+Na]+	295.141688	172.8
[M-H]-	271.145194	169.4
[M+NH4]+	290.186293	182.9
[M+K]+	311.115628	170.5
[M+H-H2O]+	255.149730	157.0
[M+HCOO]-	317.150671	187.4
[M+CH3COO]-	331.166321	207.3
[M+Na-2H]-	293.127136	165.5
[M]+	272.15192142	169.9
[M]-	272.15301858	169.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe