CID 7275193

7-chloro-4-(4-methylpiperazin-1-yl)quinoline

Structural Information

Molecular Formula
C14H16ClN3
SMILES
CN1CCN(CC1)C2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C14H16ClN3/c1-17-6-8-18(9-7-17)14-4-5-16-13-10-11(15)2-3-12(13)14/h2-5,10H,6-9H2,1H3
InChIKey
DYRPMOPVNODEGE-UHFFFAOYSA-N
Compound name
7-chloro-4-(4-methylpiperazin-1-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

261.10327 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11055 159.4
[M+Na]+ 284.09249 176.0
[M+NH4]+ 279.13709 169.0
[M+K]+ 300.06643 166.6
[M-H]- 260.09599 163.8
[M+Na-2H]- 282.07794 167.9
[M]+ 261.10272 163.5
[M]- 261.10382 163.5
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