CID 44397502

Jwh-167

Structural Information

Molecular Formula
C21H23NO
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3
InChI
InChI=1S/C21H23NO/c1-2-3-9-14-22-16-19(18-12-7-8-13-20(18)22)21(23)15-17-10-5-4-6-11-17/h4-8,10-13,16H,2-3,9,14-15H2,1H3
InChIKey
AMCPOEOUXQWESI-UHFFFAOYSA-N
Compound name
1-(1-pentylindol-3-yl)-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

305.17798 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18526 175.6
[M+Na]+ 328.16720 183.2
[M-H]- 304.17070 181.7
[M+NH4]+ 323.21180 191.9
[M+K]+ 344.14114 177.1
[M+H-H2O]+ 288.17524 166.8
[M+HCOO]- 350.17618 197.6
[M+CH3COO]- 364.19183 207.1
[M+Na-2H]- 326.15265 178.3
[M]+ 305.17743 179.3
[M]- 305.17853 179.3
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