CID 71597259

Ferrochloroquine

Structural Information

Molecular Formula
C18H20ClN3
SMILES
CN(C)CC1=CC=CC1CNC2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C18H20ClN3/c1-22(2)12-14-5-3-4-13(14)11-21-17-8-9-20-18-10-15(19)6-7-16(17)18/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKey
CKOVXJOFLLSDBI-UHFFFAOYSA-N
Compound name
7-chloro-N-[[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]methyl]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

58
References

0
Patents

313.13458 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.141856 175.2
[M+Na]+ 336.123798 183.3
[M-H]- 312.127304 182.6
[M+NH4]+ 331.168403 192.4
[M+K]+ 352.097738 177.2
[M+H-H2O]+ 296.131840 166.6
[M+HCOO]- 358.132781 195.3
[M+CH3COO]- 372.148431 186.7
[M+Na-2H]- 334.109246 178.8
[M]+ 313.13403142 179.0
[M]- 313.13512858 179.0
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.