CID 31315

Oxyphenisatin

Structural Information

Molecular Formula

C₂₀H₁₅NO₃

SMILES

C1=CC=C2C(=C1)C(C(=O)N2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C20H15NO3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)17-3-1-2-4-18(17)21-19(20)24/h1-12,22-23H,(H,21,24)

InChIKey

SJDACOMXKWHBOW-UHFFFAOYSA-N

Compound name

3,3-bis(4-hydroxyphenyl)-1H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 82
References: 5996
Patents: 317.1052 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]+	318.11248	174.0
[M+Na]+	340.09442	183.0
[M-H]-	316.09792	180.4
[M+NH4]+	335.13902	189.5
[M+K]+	356.06836	175.6
[M+H-H2O]+	300.10246	165.9
[M+HCOO]-	362.10340	191.7
[M+CH3COO]-	376.11905	184.6
[M+Na-2H]-	338.07987	177.5
[M]+	317.10465	171.3
[M]-	317.10575	171.3

Literature stripe

literature stripe

Patent stripe

patents stripe