CID 58557

Brn 0232980

Structural Information

Molecular Formula

C₁₆H₂₀N₂O₂

SMILES

CCCCN1C=C(C2=CC=CC=C21)C(=O)C(=O)N(C)C

InChI

InChI=1S/C16H20N2O2/c1-4-5-10-18-11-13(15(19)16(20)17(2)3)12-8-6-7-9-14(12)18/h6-9,11H,4-5,10H2,1-3H3

InChIKey

WFVXAWZGFNSGFB-UHFFFAOYSA-N

Compound name

2-(1-butylindol-3-yl)-N,N-dimethyl-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	164.8
[M+Na]+	295.141688	172.5
[M-H]-	271.145194	169.7
[M+NH4]+	290.186293	183.2
[M+K]+	311.115628	170.2
[M+H-H2O]+	255.149730	157.3
[M+HCOO]-	317.150671	188.1
[M+CH3COO]-	331.166321	206.1
[M+Na-2H]-	293.127136	166.8
[M]+	272.15192142	170.1
[M]-	272.15301858	170.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe