CID 137130044

56208-37-8

Structural Information

Molecular Formula

C₁₈H₁₄N₂O₂

SMILES

CCN1C2=CC=CC=C2C(=C1O)C3=NC(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H14N2O2/c1-2-20-14-10-6-5-9-13(14)15(18(20)22)16-11-7-3-4-8-12(11)17(21)19-16/h3-10,22H,2H2,1H3

InChIKey

KGZGXZIQLRICLZ-UHFFFAOYSA-N

Compound name

3-(1-ethyl-2-hydroxyindol-3-yl)isoindol-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 290.10553 Da
Monoisotopic Mass: 3.3
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	179.3
[M-H]-	289.098254	173.5
[M+NH4]+	308.139353	185.3
[M+K]+	329.068688	172.9
[M+H-H2O]+	273.102790	159.4
[M+HCOO]-	335.103731	188.8
[M+CH3COO]-	349.119381	179.8
[M+Na-2H]-	311.080196	169.7
[M]+	290.10498142	171.2
[M]-	290.10607858	171.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe