CID 59158

Brn 0200654

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₂

SMILES

CC1=C(C2=CC=CC=C2N1C)C(=O)C(=O)N(C)C

InChI

InChI=1S/C14H16N2O2/c1-9-12(13(17)14(18)15(2)3)10-7-5-6-8-11(10)16(9)4/h5-8H,1-4H3

InChIKey

DBKPULKMVOBTFA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 244.12119 Da
Monoisotopic Mass: 1.7
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]+	245.12847	154.5
[M+Na]+	267.11041	164.0
[M-H]-	243.11391	160.2
[M+NH4]+	262.15501	174.4
[M+K]+	283.08435	162.3
[M+H-H2O]+	227.11845	147.8
[M+HCOO]-	289.11939	178.5
[M+CH3COO]-	303.13504	201.4
[M+Na-2H]-	265.09586	156.9
[M]+	244.12064	159.5
[M]-	244.12174	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe