CID 11236560

Pf-00337210

Structural Information

Molecular Formula
C26H27N3O5
SMILES
CC1=C(C2=C(O1)C=C(C=C2)OC3=C4C=CC(=CC4=NC=C3)OCCN5CCOCC5)C(=O)NC
InChI
InChI=1S/C26H27N3O5/c1-17-25(26(30)27-2)21-6-4-19(16-24(21)33-17)34-23-7-8-28-22-15-18(3-5-20(22)23)32-14-11-29-9-12-31-13-10-29/h3-8,15-16H,9-14H2,1-2H3,(H,27,30)
InChIKey
LGXVKMDGSIWEHL-UHFFFAOYSA-N
Compound name
N,2-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

104
Patents

461.19507 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.20235 212.6
[M+Na]+ 484.18429 227.2
[M+NH4]+ 479.22889 218.7
[M+K]+ 500.15823 221.7
[M-H]- 460.18779 220.9
[M+Na-2H]- 482.16974 217.8
[M]+ 461.19452 217.1
[M]- 461.19562 217.1
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