CID 53394447

Jwh 018 5-hydroxyindole metabolite

Structural Information

Molecular Formula
C24H23NO2
SMILES
CCCCCN1C=C(C2=C1C=CC(=C2)O)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H23NO2/c1-2-3-6-14-25-16-22(21-15-18(26)12-13-23(21)25)24(27)20-11-7-9-17-8-4-5-10-19(17)20/h4-5,7-13,15-16,26H,2-3,6,14H2,1H3
InChIKey
GMOJICNPAPPCSR-UHFFFAOYSA-N
Compound name
(5-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

357.17288 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.18016 188.7
[M+Na]+ 380.16210 197.3
[M-H]- 356.16560 194.9
[M+NH4]+ 375.20670 203.3
[M+K]+ 396.13604 189.9
[M+H-H2O]+ 340.17014 179.7
[M+HCOO]- 402.17108 207.8
[M+CH3COO]- 416.18673 198.9
[M+Na-2H]- 378.14755 190.8
[M]+ 357.17233 192.3
[M]- 357.17343 192.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe