CID 57731074

Schembl424789

Structural Information

Molecular Formula

C₂₄H₂₁NO₄

SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC=CC(=C2)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C24H21NO4/c1-27-21-13-18(14-22(28-2)24(21)29-3)23(26)17-9-6-8-15(11-17)20-12-16-7-4-5-10-19(16)25-20/h4-14,25H,1-3H3

InChIKey

DENFSYNPQDHOTF-UHFFFAOYSA-N

Compound name

[3-(1H-indol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 5
Patents: 387.14706 Da
Monoisotopic Mass: 5.0
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]+	388.154336	193.2
[M+Na]+	410.136278	202.1
[M-H]-	386.139784	202.3
[M+NH4]+	405.180883	205.2
[M+K]+	426.110218	196.6
[M+H-H2O]+	370.144320	183.4
[M+HCOO]-	432.145261	214.2
[M+CH3COO]-	446.160911	203.8
[M+Na-2H]-	408.121726	194.2
[M]+	387.14651142	198.7
[M]-	387.14760858	198.7

Literature stripe

literature stripe

Patent stripe

patents stripe