CID 11616723

Jwh-251

Structural Information

Molecular Formula
C22H25NO
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3C
InChI
InChI=1S/C22H25NO/c1-3-4-9-14-23-16-20(19-12-7-8-13-21(19)23)22(24)15-18-11-6-5-10-17(18)2/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3
InChIKey
YBIPNGRKUAVSBG-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

54
Patents

319.1936 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.20088 180.1
[M+Na]+ 342.18282 188.2
[M-H]- 318.18632 186.4
[M+NH4]+ 337.22742 196.2
[M+K]+ 358.15676 181.9
[M+H-H2O]+ 302.19086 171.4
[M+HCOO]- 364.19180 201.8
[M+CH3COO]- 378.20745 211.2
[M+Na-2H]- 340.16827 181.6
[M]+ 319.19305 184.6
[M]- 319.19415 184.6
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