CID 45272116

Jwh-098

Structural Information

Molecular Formula
C26H27NO2
SMILES
CCCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)OC)C
InChI
InChI=1S/C26H27NO2/c1-4-5-10-17-27-18(2)25(22-13-8-9-14-23(22)27)26(28)21-15-16-24(29-3)20-12-7-6-11-19(20)21/h6-9,11-16H,4-5,10,17H2,1-3H3
InChIKey
CNTCHEBQQFICNR-UHFFFAOYSA-N
Compound name
(4-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

385.2042 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.21148 198.5
[M+Na]+ 408.19342 207.5
[M-H]- 384.19692 206.0
[M+NH4]+ 403.23802 212.9
[M+K]+ 424.16736 200.5
[M+H-H2O]+ 368.20146 188.9
[M+HCOO]- 430.20240 218.3
[M+CH3COO]- 444.21805 208.8
[M+Na-2H]- 406.17887 199.1
[M]+ 385.20365 204.9
[M]- 385.20475 204.9
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