CID 3805581

Aq-13

Structural Information

Molecular Formula
C16H22ClN3
SMILES
CCN(CC)CCCNC1=C2C=CC(=CC2=NC=C1)Cl
InChI
InChI=1S/C16H22ClN3/c1-3-20(4-2)11-5-9-18-15-8-10-19-16-12-13(17)6-7-14(15)16/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,18,19)
InChIKey
NCPLTAGJJVCHOW-UHFFFAOYSA-N
Compound name
N-(7-chloroquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

26
Patents

291.15024 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15752 169.4
[M+Na]+ 314.13946 176.3
[M-H]- 290.14296 173.1
[M+NH4]+ 309.18406 185.9
[M+K]+ 330.11340 171.1
[M+H-H2O]+ 274.14750 161.5
[M+HCOO]- 336.14844 188.1
[M+CH3COO]- 350.16409 211.5
[M+Na-2H]- 312.12491 175.2
[M]+ 291.14969 173.8
[M]- 291.15079 173.8
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