CID 456322

1-[2-({4-[(6-methoxyquinolin-8-yl)amino]pentyl}amino)-4,5-dihydrofuran-3-yl]ethanone

Structural Information

Molecular Formula
C21H27N3O3
SMILES
CC(CCCNC1=C(CCO1)C(=O)C)NC2=C3C(=CC(=C2)OC)C=CC=N3
InChI
InChI=1S/C21H27N3O3/c1-14(6-4-10-23-21-18(15(2)25)8-11-27-21)24-19-13-17(26-3)12-16-7-5-9-22-20(16)19/h5,7,9,12-14,23-24H,4,6,8,10-11H2,1-3H3
InChIKey
VBWGPCJBCKMMKS-UHFFFAOYSA-N
Compound name
1-[5-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]-2,3-dihydrofuran-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

369.20523 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.21251 191.0
[M+Na]+ 392.19445 195.0
[M-H]- 368.19795 197.2
[M+NH4]+ 387.23905 202.4
[M+K]+ 408.16839 192.3
[M+H-H2O]+ 352.20249 181.6
[M+HCOO]- 414.20343 210.6
[M+CH3COO]- 428.21908 224.2
[M+Na-2H]- 390.17990 192.1
[M]+ 369.20468 193.8
[M]- 369.20578 193.8
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