CID 21129

Indoxole

Structural Information

Molecular Formula

C₂₂H₁₉NO₂

SMILES

COC1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H19NO2/c1-24-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)23-22(21)16-9-13-18(25-2)14-10-16/h3-14,23H,1-2H3

InChIKey

SRETXDDCKMOQNE-UHFFFAOYSA-N

Compound name

2,3-bis(4-methoxyphenyl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 4006
Patents: 329.14157 Da
Monoisotopic Mass: 5.3
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]+	330.148846	178.6
[M+Na]+	352.130788	188.3
[M-H]-	328.134294	187.6
[M+NH4]+	347.175393	193.2
[M+K]+	368.104728	181.4
[M+H-H2O]+	312.138830	169.2
[M+HCOO]-	374.139771	200.9
[M+CH3COO]-	388.155421	190.2
[M+Na-2H]-	350.116236	182.4
[M]+	329.14102142	181.6
[M]-	329.14211858	181.6

Literature stripe

literature stripe

Patent stripe

patents stripe