CID 224624

N4-(5-chloro-4-quinolinyl)-n1,n1-diethyl-1,4-pentanediamine

Structural Information

Molecular Formula
C18H26ClN3
SMILES
CCN(CC)CCCC(C)NC1=C2C(=NC=C1)C=CC=C2Cl
InChI
InChI=1S/C18H26ClN3/c1-4-22(5-2)13-7-8-14(3)21-17-11-12-20-16-10-6-9-15(19)18(16)17/h6,9-12,14H,4-5,7-8,13H2,1-3H3,(H,20,21)
InChIKey
CHDBGFBFAXJWRC-UHFFFAOYSA-N
Compound name
4-N-(5-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.18152 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.188796 179.0
[M+Na]+ 342.170738 184.7
[M-H]- 318.174244 182.4
[M+NH4]+ 337.215343 194.2
[M+K]+ 358.144678 179.6
[M+H-H2O]+ 302.178780 170.8
[M+HCOO]- 364.179721 196.0
[M+CH3COO]- 378.195371 218.3
[M+Na-2H]- 340.156186 182.4
[M]+ 319.18097142 183.5
[M]- 319.18206858 183.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.