CID 52947

Brn 5050027

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₃

SMILES

CNC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C13H14N2O3/c1-14-11(16)7-4-8-15-12(17)9-5-2-3-6-10(9)13(15)18/h2-3,5-6H,4,7-8H2,1H3,(H,14,16)

InChIKey

TYVCNAIERHFOFR-UHFFFAOYSA-N

Compound name

4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 246.10045 Da
Monoisotopic Mass: 1.1
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]+	247.10773	155.4
[M+Na]+	269.08967	165.5
[M+NH4]+	264.13427	161.9
[M+K]+	285.06361	161.9
[M-H]-	245.09317	155.7
[M+Na-2H]-	267.07512	158.3
[M]+	246.09990	156.5
[M]-	246.10100	156.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.