CID 53394098

Jwh 073 2-hydroxyindole metabolite

Structural Information

Molecular Formula
C23H21NO2
SMILES
CCCCN1C2=CC=CC=C2C(=C1O)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C23H21NO2/c1-2-3-15-24-20-14-7-6-12-19(20)21(23(24)26)22(25)18-13-8-10-16-9-4-5-11-17(16)18/h4-14,26H,2-3,15H2,1H3
InChIKey
HLQUZHWENOKGOT-UHFFFAOYSA-N
Compound name
(1-butyl-2-hydroxyindol-3-yl)-naphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

343.15723 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16451 184.0
[M+Na]+ 366.14645 193.1
[M-H]- 342.14995 190.4
[M+NH4]+ 361.19105 199.2
[M+K]+ 382.12039 185.9
[M+H-H2O]+ 326.15449 175.3
[M+HCOO]- 388.15543 203.5
[M+CH3COO]- 402.17108 194.7
[M+Na-2H]- 364.13190 186.7
[M]+ 343.15668 187.4
[M]- 343.15778 187.4
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