CID 44368310

Jwh-016

Structural Information

Molecular Formula

C₂₄H₂₃NO

SMILES

CCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C24H23NO/c1-3-4-16-25-17(2)23(21-13-7-8-15-22(21)25)24(26)20-14-9-11-18-10-5-6-12-19(18)20/h5-15H,3-4,16H2,1-2H3

InChIKey

QKXRHYJSCZFHEK-UHFFFAOYSA-N

Compound name

(1-butyl-2-methylindol-3-yl)-naphthalen-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 341.17798 Da
Monoisotopic Mass: 6.2
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]+	342.18526	185.7
[M+Na]+	364.16720	195.0
[M-H]-	340.17070	193.2
[M+NH4]+	359.21180	201.7
[M+K]+	380.14114	187.6
[M+H-H2O]+	324.17524	176.5
[M+HCOO]-	386.17618	206.1
[M+CH3COO]-	400.19183	196.7
[M+Na-2H]-	362.15265	188.0
[M]+	341.17743	189.7
[M]-	341.17853	189.7

Literature stripe

literature stripe

Patent stripe

patents stripe