CID 53394453

1307803-47-9

Structural Information

Molecular Formula

C₂₃H₂₁NO₂

SMILES

CCCCN1C=C(C2=C1C=CC(=C2)O)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H21NO2/c1-2-3-13-24-15-21(20-14-17(25)11-12-22(20)24)23(26)19-10-6-8-16-7-4-5-9-18(16)19/h4-12,14-15,25H,2-3,13H2,1H3

InChIKey

JZGAGMUTAYXMMJ-UHFFFAOYSA-N

Compound name

(1-butyl-5-hydroxyindol-3-yl)-naphthalen-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 343.15723 Da
Monoisotopic Mass: 5.4
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]+	344.16451	184.0
[M+Na]+	366.14645	193.1
[M-H]-	342.14995	190.4
[M+NH4]+	361.19105	199.2
[M+K]+	382.12039	185.9
[M+H-H2O]+	326.15449	175.3
[M+HCOO]-	388.15543	203.5
[M+CH3COO]-	402.17108	194.7
[M+Na-2H]-	364.13190	186.7
[M]+	343.15668	187.4
[M]-	343.15778	187.4

Literature stripe

literature stripe

Patent stripe

patents stripe