CID 459794

Chembl5173144

Structural Information

Molecular Formula
C18H20ClN3O2
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCNCCO
InChI
InChI=1S/C18H20ClN3O2/c1-24-13-3-5-16-15(11-13)18(21-7-6-20-8-9-23)14-4-2-12(19)10-17(14)22-16/h2-5,10-11,20,23H,6-9H2,1H3,(H,21,22)
InChIKey
NFFXOJOBSFGXNB-UHFFFAOYSA-N
Compound name
2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.1244 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.13168 177.5
[M+Na]+ 368.11362 186.8
[M-H]- 344.11712 180.3
[M+NH4]+ 363.15822 191.7
[M+K]+ 384.08756 179.9
[M+H-H2O]+ 328.12166 169.6
[M+HCOO]- 390.12260 195.0
[M+CH3COO]- 404.13825 215.9
[M+Na-2H]- 366.09907 185.6
[M]+ 345.12385 183.5
[M]- 345.12495 183.5
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

No patent data available for this compound.