CID 122262

Piperaquine

Structural Information

Molecular Formula
C29H32Cl2N6
SMILES
C1CN(CCN1CCCN2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C5=C6C=CC(=CC6=NC=C5)Cl
InChI
InChI=1S/C29H32Cl2N6/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29/h2-9,20-21H,1,10-19H2
InChIKey
UCRHFBCYFMIWHC-UHFFFAOYSA-N
Compound name
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

834
References

1866
Patents

534.20654 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.21382 233.8
[M+Na]+ 557.19576 253.5
[M+NH4]+ 552.24036 241.3
[M+K]+ 573.16970 240.3
[M-H]- 533.19926 241.3
[M+Na-2H]- 555.18121 242.4
[M]+ 534.20599 239.6
[M]- 534.20709 239.6
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