CID 44368310

Jwh-016

Structural Information

Molecular Formula
C24H23NO
SMILES
CCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)C
InChI
InChI=1S/C24H23NO/c1-3-4-16-25-17(2)23(21-13-7-8-15-22(21)25)24(26)20-14-9-11-18-10-5-6-12-19(18)20/h5-15H,3-4,16H2,1-2H3
InChIKey
QKXRHYJSCZFHEK-UHFFFAOYSA-N
Compound name
(1-butyl-2-methylindol-3-yl)-naphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

341.17798 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.185256 185.7
[M+Na]+ 364.167198 195.0
[M-H]- 340.170704 193.2
[M+NH4]+ 359.211803 201.7
[M+K]+ 380.141138 187.6
[M+H-H2O]+ 324.175240 176.5
[M+HCOO]- 386.176181 206.1
[M+CH3COO]- 400.191831 196.7
[M+Na-2H]- 362.152646 188.0
[M]+ 341.17743142 189.7
[M]- 341.17852858 189.7
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