CID 408190

Mls000066547

Structural Information

Molecular Formula
C15H20ClN3
SMILES
CCN(CC)CCNC1=C2C=CC(=CC2=NC=C1)Cl
InChI
InChI=1S/C15H20ClN3/c1-3-19(4-2)10-9-18-14-7-8-17-15-11-12(16)5-6-13(14)15/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKey
OJGAAQMNLKYWSQ-UHFFFAOYSA-N
Compound name
N-(7-chloroquinolin-4-yl)-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

22
Patents

277.13458 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14186 164.1
[M+Na]+ 300.12380 177.9
[M+NH4]+ 295.16840 173.4
[M+K]+ 316.09774 168.8
[M-H]- 276.12730 168.6
[M+Na-2H]- 298.10925 171.7
[M]+ 277.13403 167.7
[M]- 277.13513 167.7
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