CID 91713114

Jwh 019 n-(6-hydroxyhexyl) metabolite

Structural Information

Molecular Formula
C25H25NO2
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CN(C4=CC=CC=C43)CCCCCCO
InChI
InChI=1S/C25H25NO2/c27-17-8-2-1-7-16-26-18-23(21-13-5-6-15-24(21)26)25(28)22-14-9-11-19-10-3-4-12-20(19)22/h3-6,9-15,18,27H,1-2,7-8,16-17H2
InChIKey
LBVZVDUWOZUDJT-UHFFFAOYSA-N
Compound name
[1-(6-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.18854 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.19582 192.8
[M+Na]+ 394.17776 208.4
[M+NH4]+ 389.22236 201.3
[M+K]+ 410.15170 199.9
[M-H]- 370.18126 197.7
[M+Na-2H]- 392.16321 200.2
[M]+ 371.18799 196.6
[M]- 371.18909 196.6
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

No patent data available for this compound.