CID 57458928

Jwh-398

Structural Information

Molecular Formula

C₂₄H₂₂ClNO

SMILES

CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)Cl

InChI

InChI=1S/C24H22ClNO/c1-2-3-8-15-26-16-21(19-11-6-7-12-23(19)26)24(27)20-13-14-22(25)18-10-5-4-9-17(18)20/h4-7,9-14,16H,2-3,8,15H2,1H3

InChIKey

IUWBHGFOHXVVKV-UHFFFAOYSA-N

Compound name

(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 62
Patents: 375.13898 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]+	376.14626	193.4
[M+Na]+	398.12820	203.5
[M-H]-	374.13170	200.5
[M+NH4]+	393.17280	208.9
[M+K]+	414.10214	194.6
[M+H-H2O]+	358.13624	184.4
[M+HCOO]-	420.13718	209.2
[M+CH3COO]-	434.15283	203.9
[M+Na-2H]-	396.11365	195.0
[M]+	375.13843	199.7
[M]-	375.13953	199.7

Literature stripe

literature stripe

Patent stripe

patents stripe