CID 11630144

Chembl379727

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₃

SMILES

CCCCN1C2=C(C=C(C=C2)C(=O)N)C(=O)C1=O

InChI

InChI=1S/C13H14N2O3/c1-2-3-6-15-10-5-4-8(12(14)17)7-9(10)11(16)13(15)18/h4-5,7H,2-3,6H2,1H3,(H2,14,17)

InChIKey

HRVIHQDVDQVYBE-UHFFFAOYSA-N

Compound name

1-butyl-2,3-dioxoindole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 246.10045 Da
Monoisotopic Mass: 1.0
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]+	247.10773	154.0
[M+Na]+	269.08967	163.2
[M-H]-	245.09317	157.3
[M+NH4]+	264.13427	172.8
[M+K]+	285.06361	159.7
[M+H-H2O]+	229.09771	147.7
[M+HCOO]-	291.09865	175.7
[M+CH3COO]-	305.11430	197.3
[M+Na-2H]-	267.07512	155.4
[M]+	246.09990	155.4
[M]-	246.10100	155.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.