CID 4273754

Jwh-015

Structural Information

Molecular Formula
C23H21NO
SMILES
CCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)C
InChI
InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3
InChIKey
LJSBBBWQTLXQEN-UHFFFAOYSA-N
Compound name
(2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

125
References

354
Patents

327.16232 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.16960 180.9
[M+Na]+ 350.15154 190.7
[M-H]- 326.15504 188.7
[M+NH4]+ 345.19614 197.6
[M+K]+ 366.12548 183.6
[M+H-H2O]+ 310.15958 172.0
[M+HCOO]- 372.16052 201.8
[M+CH3COO]- 386.17617 192.5
[M+Na-2H]- 348.13699 183.8
[M]+ 327.16177 184.7
[M]- 327.16287 184.7
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