CID 10319620

Jwh-198

Structural Information

Molecular Formula
C26H26N2O3
SMILES
COC1=CC=C(C2=CC=CC=C21)C(=O)C3=CN(C4=CC=CC=C43)CCN5CCOCC5
InChI
InChI=1S/C26H26N2O3/c1-30-25-11-10-22(19-6-2-3-8-21(19)25)26(29)23-18-28(24-9-5-4-7-20(23)24)13-12-27-14-16-31-17-15-27/h2-11,18H,12-17H2,1H3
InChIKey
QWHSUXWDDKWTOG-UHFFFAOYSA-N
Compound name
(4-methoxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

54
Patents

414.19434 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.201616 201.7
[M+Na]+ 437.183558 207.8
[M-H]- 413.187064 210.3
[M+NH4]+ 432.228163 210.7
[M+K]+ 453.157498 202.4
[M+H-H2O]+ 397.191600 189.9
[M+HCOO]- 459.192541 216.2
[M+CH3COO]- 473.208191 209.9
[M+Na-2H]- 435.169006 202.5
[M]+ 414.19379142 203.0
[M]- 414.19488858 203.0
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