CID 288577

15741-71-6

Structural Information

Molecular Formula

C₁₈H₁₄N₂O₂

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=CNC4=CC=CC=C43

InChI

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

InChIKey

SAQDVULJSRMFJO-UHFFFAOYSA-N

Compound name

2-[2-(1H-indol-3-yl)ethyl]isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 90
Patents: 290.10553 Da
Monoisotopic Mass: 3.2
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]+	291.11281	167.0
[M+Na]+	313.09475	181.6
[M+NH4]+	308.13935	175.3
[M+K]+	329.06869	177.2
[M-H]-	289.09825	170.1
[M+Na-2H]-	311.08020	173.1
[M]+	290.10498	169.9
[M]-	290.10608	169.9

Literature stripe

literature stripe

Patent stripe

patents stripe