CID 515956

Chembl345744

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃

SMILES

CN1C2=C(C=C(C=C2)C(=O)N(C)C)C(=O)C1=O

InChI

InChI=1S/C12H12N2O3/c1-13(2)11(16)7-4-5-9-8(6-7)10(15)12(17)14(9)3/h4-6H,1-3H3

InChIKey

KHDHIFIZCUGHBQ-UHFFFAOYSA-N

Compound name

N,N,1-trimethyl-2,3-dioxoindole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 232.0848 Da
Monoisotopic Mass: 0.0
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]+	233.09208	148.1
[M+Na]+	255.07402	157.9
[M-H]-	231.07752	153.6
[M+NH4]+	250.11862	168.5
[M+K]+	271.04796	156.5
[M+H-H2O]+	215.08206	142.0
[M+HCOO]-	277.08300	171.3
[M+CH3COO]-	291.09865	197.6
[M+Na-2H]-	253.05947	150.5
[M]+	232.08425	151.3
[M]-	232.08535	151.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.