CID 34471

29095-44-1

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

CN(C)C(=O)C(=O)C1=CNC2=CC=CC=C21

InChI

InChI=1S/C12H12N2O2/c1-14(2)12(16)11(15)9-7-13-10-6-4-3-5-8(9)10/h3-7,13H,1-2H3

InChIKey

FIUGYEVWNQNDDO-UHFFFAOYSA-N

Compound name

2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 52
Patents: 216.08987 Da
Monoisotopic Mass: 1.8
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]+	217.09715	146.4
[M+Na]+	239.07909	157.5
[M+NH4]+	234.12369	153.8
[M+K]+	255.05303	154.5
[M-H]-	215.08259	147.4
[M+Na-2H]-	237.06454	151.7
[M]+	216.08932	148.0
[M]-	216.09042	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe