CID 378607

129697-28-5

Structural Information

Molecular Formula

C₁₈H₁₄N₂O₂

SMILES

C1CN(C2=CC=CC=C21)C(=O)C(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C18H14N2O2/c21-17(14-11-19-15-7-3-2-6-13(14)15)18(22)20-10-9-12-5-1-4-8-16(12)20/h1-8,11,19H,9-10H2

InChIKey

CFUYGGPBOBIHRG-UHFFFAOYSA-N

Compound name

1-(2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 290.10553 Da
Monoisotopic Mass: 3.0
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]+	291.112806	166.8
[M+Na]+	313.094748	175.2
[M-H]-	289.098254	172.2
[M+NH4]+	308.139353	184.1
[M+K]+	329.068688	169.5
[M+H-H2O]+	273.102790	159.0
[M+HCOO]-	335.103731	185.6
[M+CH3COO]-	349.119381	178.1
[M+Na-2H]-	311.080196	168.6
[M]+	290.10498142	166.6
[M]-	290.10607858	166.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.