CID 72091

Moxipraquine

Structural Information

Molecular Formula
C24H38N4O2
SMILES
CC(CCN1CCN(CC1)CCCCCCNC2=C3C(=CC(=C2)OC)C=CC=N3)O
InChI
InChI=1S/C24H38N4O2/c1-20(29)9-13-28-16-14-27(15-17-28)12-6-4-3-5-10-25-23-19-22(30-2)18-21-8-7-11-26-24(21)23/h7-8,11,18-20,25,29H,3-6,9-10,12-17H2,1-2H3
InChIKey
UDXZUNMRLVAEJN-UHFFFAOYSA-N
Compound name
4-[4-[6-[(6-methoxyquinolin-8-yl)amino]hexyl]piperazin-1-yl]butan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

31
Patents

414.29947 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.306746 206.4
[M+Na]+ 437.288688 207.6
[M-H]- 413.292194 206.0
[M+NH4]+ 432.333293 212.2
[M+K]+ 453.262628 201.5
[M+H-H2O]+ 397.296730 194.3
[M+HCOO]- 459.297671 217.4
[M+CH3COO]- 473.313321 229.3
[M+Na-2H]- 435.274136 206.4
[M]+ 414.29892142 205.5
[M]- 414.30001858 205.5
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