CID 57458937

Jwh-424

Structural Information

Molecular Formula

C₂₄H₂₂BrNO

SMILES

CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=C3C(=CC=C4)Br

InChI

InChI=1S/C24H22BrNO/c1-2-3-6-15-26-16-20(18-11-4-5-14-22(18)26)24(27)19-12-7-9-17-10-8-13-21(25)23(17)19/h4-5,7-14,16H,2-3,6,15H2,1H3

InChIKey

QXZYVJRMQVOOEQ-UHFFFAOYSA-N

Compound name

(8-bromonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 36
Patents: 419.08847 Da
Monoisotopic Mass: 7.0
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]+	420.09575	200.0
[M+Na]+	442.07769	211.5
[M-H]-	418.08119	209.6
[M+NH4]+	437.12229	216.6
[M+K]+	458.05163	197.6
[M+H-H2O]+	402.08573	197.8
[M+HCOO]-	464.08667	218.0
[M+CH3COO]-	478.10232	211.8
[M+Na-2H]-	440.06314	202.7
[M]+	419.08792	222.1
[M]-	419.08902	222.1

Literature stripe

literature stripe

Patent stripe

patents stripe