CID 41501

Brn 0214639

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₂

SMILES

CC(C)NC(=O)C(=O)C1=CN(C2=CC=CC=C21)C

InChI

InChI=1S/C14H16N2O2/c1-9(2)15-14(18)13(17)11-8-16(3)12-7-5-4-6-10(11)12/h4-9H,1-3H3,(H,15,18)

InChIKey

QTUMANBBBICYRP-UHFFFAOYSA-N

Compound name

2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 244.12119 Da
Monoisotopic Mass: 2.0
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	155.6
[M+Na]+	267.11041	163.8
[M-H]-	243.11391	159.5
[M+NH4]+	262.15501	174.5
[M+K]+	283.08435	161.2
[M+H-H2O]+	227.11845	148.9
[M+HCOO]-	289.11939	178.2
[M+CH3COO]-	303.13504	197.6
[M+Na-2H]-	265.09586	158.3
[M]+	244.12064	158.4
[M]-	244.12174	158.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.