CID 52224389

Jwh-019

Structural Information

Molecular Formula

C₂₅H₂₅NO

SMILES

CCCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H25NO/c1-2-3-4-9-17-26-18-23(21-14-7-8-16-24(21)26)25(27)22-15-10-12-19-11-5-6-13-20(19)22/h5-8,10-16,18H,2-4,9,17H2,1H3

InChIKey

PALJPGHWDUHUPO-UHFFFAOYSA-N

Compound name

(1-hexylindol-3-yl)-naphthalen-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 28
Patents: 355.1936 Da
Monoisotopic Mass: 6.9
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]+	356.20088	190.2
[M+Na]+	378.18282	198.1
[M-H]-	354.18632	197.1
[M+NH4]+	373.22742	205.3
[M+K]+	394.15676	190.4
[M+H-H2O]+	338.19086	180.5
[M+HCOO]-	400.19180	210.3
[M+CH3COO]-	414.20745	200.4
[M+Na-2H]-	376.16827	192.6
[M]+	355.19305	194.1
[M]-	355.19415	194.1

Literature stripe

literature stripe

Patent stripe

patents stripe