CID 56646189

Schembl424575

Structural Information

Molecular Formula

C₂₄H₂₃NO₄

SMILES

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

InChI

InChI=1S/C24H23NO4/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/h4-14,23,25-26H,1-3H3

InChIKey

CZRCZPDGOKBZFR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 389.16272 Da
Monoisotopic Mass: 4.4
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]+	390.169996	193.7
[M+Na]+	412.151938	201.9
[M-H]-	388.155444	201.5
[M+NH4]+	407.196543	205.1
[M+K]+	428.125878	196.3
[M+H-H2O]+	372.159980	184.3
[M+HCOO]-	434.160921	213.1
[M+CH3COO]-	448.176571	203.7
[M+Na-2H]-	410.137386	194.5
[M]+	389.16217142	198.2
[M]-	389.16326858	198.2

Literature stripe

literature stripe

Patent stripe

patents stripe