CID 71749653

Jwh 122 3-methylnaphthyl isomer

Structural Information

Molecular Formula
C25H25NO
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC(=CC4=CC=CC=C43)C
InChI
InChI=1S/C25H25NO/c1-3-4-9-14-26-17-23(21-12-7-8-13-24(21)26)25(27)22-16-18(2)15-19-10-5-6-11-20(19)22/h5-8,10-13,15-17H,3-4,9,14H2,1-2H3
InChIKey
AWAISCZQPNYSRY-UHFFFAOYSA-N
Compound name
(3-methylnaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

355.1936 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.20088 190.4
[M+Na]+ 378.18282 199.2
[M-H]- 354.18632 197.7
[M+NH4]+ 373.22742 205.8
[M+K]+ 394.15676 191.6
[M+H-H2O]+ 338.19086 181.0
[M+HCOO]- 400.19180 210.5
[M+CH3COO]- 414.20745 201.0
[M+Na-2H]- 376.16827 192.1
[M]+ 355.19305 194.7
[M]- 355.19415 194.7
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.