CID 53387189

4-quinolone-3-carboxamide cb2 ligand

Structural Information

Molecular Formula
C26H34N2O3
SMILES
CCCCCN1C=C(C(=O)C2=C1C(=CC=C2)OC)C(=O)NC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C26H34N2O3/c1-3-4-5-9-28-16-21(24(29)20-7-6-8-22(31-2)23(20)28)25(30)27-26-13-17-10-18(14-26)12-19(11-17)15-26/h6-8,16-19H,3-5,9-15H2,1-2H3,(H,27,30)
InChIKey
YGNQQLUXHGNAEG-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-8-methoxy-4-oxo-1-pentylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

422.25696 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.26424 202.2
[M+Na]+ 445.24618 212.7
[M+NH4]+ 440.29078 212.9
[M+K]+ 461.22012 201.4
[M-H]- 421.24968 202.4
[M+Na-2H]- 443.23163 199.3
[M]+ 422.25641 203.9
[M]- 422.25751 203.9
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