CID 11644322

Chembl210525

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃

SMILES

CCCN1C2=C(C=C(C=C2)C(=O)N)C(=O)C1=O

InChI

InChI=1S/C12H12N2O3/c1-2-5-14-9-4-3-7(11(13)16)6-8(9)10(15)12(14)17/h3-4,6H,2,5H2,1H3,(H2,13,16)

InChIKey

UPFRLUKDHMINPH-UHFFFAOYSA-N

Compound name

2,3-dioxo-1-propylindole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 232.0848 Da
Monoisotopic Mass: 0.7
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]+	233.09208	149.4
[M+Na]+	255.07402	158.9
[M-H]-	231.07752	152.8
[M+NH4]+	250.11862	168.8
[M+K]+	271.04796	155.7
[M+H-H2O]+	215.08206	143.3
[M+HCOO]-	277.08300	171.4
[M+CH3COO]-	291.09865	194.3
[M+Na-2H]-	253.05947	151.3
[M]+	232.08425	150.4
[M]-	232.08535	150.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.