CID 3652

Hydroxychloroquine

Structural Information

Molecular Formula
C18H26ClN3O
SMILES
CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO
InChI
InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)
InChIKey
XXSMGPRMXLTPCZ-UHFFFAOYSA-N
Compound name
2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

7203
References

62956
Patents

335.17645 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.18373 181.2
[M+Na]+ 358.16567 192.9
[M+NH4]+ 353.21027 188.7
[M+K]+ 374.13961 184.7
[M-H]- 334.16917 184.2
[M+Na-2H]- 356.15112 186.4
[M]+ 335.17590 183.9
[M]- 335.17700 183.9
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