CID 16077503

Chembl232425

Structural Information

Molecular Formula

C₁₄H₁₅NO₄

SMILES

CCOC(=O)C1=CN(C2=C1C(=O)C(=C(C2=O)C)C)C

InChI

InChI=1S/C14H15NO4/c1-5-19-14(18)9-6-15(4)11-10(9)12(16)7(2)8(3)13(11)17/h6H,5H2,1-4H3

InChIKey

WBOKZROFJPERIB-UHFFFAOYSA-N

Compound name

ethyl 1,5,6-trimethyl-4,7-dioxoindole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 261.1001 Da
Monoisotopic Mass: 1.5
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]+	262.10738	155.0
[M+Na]+	284.08932	166.3
[M-H]-	260.09282	159.5
[M+NH4]+	279.13392	174.5
[M+K]+	300.06326	163.7
[M+H-H2O]+	244.09736	149.6
[M+HCOO]-	306.09830	176.1
[M+CH3COO]-	320.11395	200.0
[M+Na-2H]-	282.07477	155.4
[M]+	261.09955	160.7
[M]-	261.10065	160.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.