CID 474866

{4-[(7-chloro-8-methoxy(4-quinolyl))amino]pentyl}diethylamine

Structural Information

Molecular Formula
C19H28ClN3O
SMILES
CCN(CC)CCCC(C)NC1=C2C=CC(=C(C2=NC=C1)OC)Cl
InChI
InChI=1S/C19H28ClN3O/c1-5-23(6-2)13-7-8-14(3)22-17-11-12-21-18-15(17)9-10-16(20)19(18)24-4/h9-12,14H,5-8,13H2,1-4H3,(H,21,22)
InChIKey
UYJVLFSXSGFCAC-UHFFFAOYSA-N
Compound name
4-N-(7-chloro-8-methoxyquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.19208 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.19936 186.8
[M+Na]+ 372.18130 192.8
[M-H]- 348.18480 190.3
[M+NH4]+ 367.22590 201.0
[M+K]+ 388.15524 188.2
[M+H-H2O]+ 332.18934 178.4
[M+HCOO]- 394.19028 203.6
[M+CH3COO]- 408.20593 224.5
[M+Na-2H]- 370.16675 189.0
[M]+ 349.19153 193.4
[M]- 349.19263 193.4
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

No patent data available for this compound.