CID 57458928

Jwh-398

Structural Information

Molecular Formula
C24H22ClNO
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)Cl
InChI
InChI=1S/C24H22ClNO/c1-2-3-8-15-26-16-21(19-11-6-7-12-23(19)26)24(27)20-13-14-22(25)18-10-5-4-9-17(18)20/h4-7,9-14,16H,2-3,8,15H2,1H3
InChIKey
IUWBHGFOHXVVKV-UHFFFAOYSA-N
Compound name
(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

62
Patents

375.13898 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.14626 191.2
[M+Na]+ 398.12820 209.3
[M+NH4]+ 393.17280 201.0
[M+K]+ 414.10214 199.4
[M-H]- 374.13170 197.2
[M+Na-2H]- 396.11365 199.7
[M]+ 375.13843 196.2
[M]- 375.13953 196.2
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