CID 10547208

Jwh-081

Structural Information

Molecular Formula
C25H25NO2
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)OC
InChI
InChI=1S/C25H25NO2/c1-3-4-9-16-26-17-22(19-11-7-8-13-23(19)26)25(27)21-14-15-24(28-2)20-12-6-5-10-18(20)21/h5-8,10-15,17H,3-4,9,16H2,1-2H3
InChIKey
UBMPKJKGUQDHRM-UHFFFAOYSA-N
Compound name
(4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

77
Patents

371.18854 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.19582 193.7
[M+Na]+ 394.17776 202.2
[M-H]- 370.18126 201.0
[M+NH4]+ 389.22236 208.4
[M+K]+ 410.15170 195.4
[M+H-H2O]+ 354.18580 184.1
[M+HCOO]- 416.18674 213.9
[M+CH3COO]- 430.20239 204.1
[M+Na-2H]- 392.16321 195.5
[M]+ 371.18799 199.4
[M]- 371.18909 199.4
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