CID 45039956

Monodesethyl quinacrine, dihydrochloride

Structural Information

Molecular Formula
C21H26ClN3O
SMILES
CCNCCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC
InChI
InChI=1S/C21H26ClN3O/c1-4-23-11-5-6-14(2)24-21-17-9-7-15(22)12-20(17)25-19-10-8-16(26-3)13-18(19)21/h7-10,12-14,23H,4-6,11H2,1-3H3,(H,24,25)
InChIKey
PLRMAPKCAIMEDG-UHFFFAOYSA-N
Compound name
4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-ethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.17645 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18373 190.3
[M+Na]+ 394.16567 205.5
[M+NH4]+ 389.21027 198.9
[M+K]+ 410.13961 195.2
[M-H]- 370.16917 195.1
[M+Na-2H]- 392.15112 196.9
[M]+ 371.17590 194.3
[M]- 371.17700 194.3
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.