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
7
Annotation Hits

7317
References

61096
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 181.4
[M+Na]+ 358.16567 186.5
[M-H]- 334.16917 183.4
[M+NH4]+ 353.21027 195.2
[M+K]+ 374.13961 181.3
[M+H-H2O]+ 318.17371 173.4
[M+HCOO]- 380.17465 197.2
[M+CH3COO]- 394.19030 217.9
[M+Na-2H]- 356.15112 184.6
[M]+ 335.17590 185.5
[M]- 335.17700 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.