CID 91701365

Jwh 200 6-hydroxyindole metabolite

Structural Information

Molecular Formula
C25H24N2O3
SMILES
C1COCCN1CCN2C=C(C3=C2C=C(C=C3)O)C(=O)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C25H24N2O3/c28-19-8-9-21-23(25(29)22-7-3-5-18-4-1-2-6-20(18)22)17-27(24(21)16-19)11-10-26-12-14-30-15-13-26/h1-9,16-17,28H,10-15H2
InChIKey
PRMFDACRPWNMJK-UHFFFAOYSA-N
Compound name
[6-hydroxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-naphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

400.17868 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18596 196.6
[M+Na]+ 423.16790 202.8
[M-H]- 399.17140 204.2
[M+NH4]+ 418.21250 205.6
[M+K]+ 439.14184 196.8
[M+H-H2O]+ 383.17594 185.5
[M+HCOO]- 445.17688 210.0
[M+CH3COO]- 459.19253 204.7
[M+Na-2H]- 421.15335 197.7
[M]+ 400.17813 196.0
[M]- 400.17923 196.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe