CID 30335

20870-64-8

Structural Information

Molecular Formula

C₂₀H₂₃NO₃

SMILES

CC(CC1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CC(C)O)O

InChI

InChI=1S/C20H23NO3/c1-14(22)12-20(13-15(2)23)17-10-6-7-11-18(17)21(19(20)24)16-8-4-3-5-9-16/h3-11,14-15,22-23H,12-13H2,1-2H3

InChIKey

ANXFYQLOZMIJFZ-UHFFFAOYSA-N

Compound name

3,3-bis(2-hydroxypropyl)-1-phenylindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.1678 Da
Monoisotopic Mass: 2.6
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]+	326.175076	179.0
[M+Na]+	348.157018	185.6
[M-H]-	324.160524	182.7
[M+NH4]+	343.201623	195.1
[M+K]+	364.130958	180.6
[M+H-H2O]+	308.165060	171.9
[M+HCOO]-	370.166001	194.9
[M+CH3COO]-	384.181651	205.6
[M+Na-2H]-	346.142466	179.2
[M]+	325.16725142	179.0
[M]-	325.16834858	179.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.