CID 3057195

73973-01-0

Structural Information

Molecular Formula

C₁₇H₁₃NO₂

SMILES

CC1=C(C2=CC=CC=C2N1)C3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C17H13NO2/c1-10-15(13-8-4-5-9-14(13)18-10)16-11-6-2-3-7-12(11)17(19)20-16/h2-9,16,18H,1H3

InChIKey

DCDJMTJURABFMR-UHFFFAOYSA-N

Compound name

3-(2-methyl-1H-indol-3-yl)-3H-2-benzofuran-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 263.09464 Da
Monoisotopic Mass: 3.6
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]+	264.101916	157.7
[M+Na]+	286.083858	169.3
[M-H]-	262.087364	165.9
[M+NH4]+	281.128463	177.2
[M+K]+	302.057798	164.3
[M+H-H2O]+	246.091900	151.8
[M+HCOO]-	308.092841	179.2
[M+CH3COO]-	322.108491	171.4
[M+Na-2H]-	284.069306	161.7
[M]+	263.09409142	160.2
[M]-	263.09518858	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe