CID 22709

Acridine, 6-chloro-9-((4-(diethylamino)butyl)amino)-2-methoxy-, dihydrochloride

Structural Information

Molecular Formula
C22H28ClN3O
SMILES
CCN(CC)CCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC
InChI
InChI=1S/C22H28ClN3O/c1-4-26(5-2)13-7-6-12-24-22-18-10-8-16(23)14-21(18)25-20-11-9-17(27-3)15-19(20)22/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,24,25)
InChIKey
TXCSDESMIIXNRY-UHFFFAOYSA-N
Compound name
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

385.19208 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.19936 195.0
[M+Na]+ 408.18130 203.0
[M-H]- 384.18480 199.7
[M+NH4]+ 403.22590 208.8
[M+K]+ 424.15524 196.6
[M+H-H2O]+ 368.18934 185.7
[M+HCOO]- 430.19028 212.7
[M+CH3COO]- 444.20593 231.0
[M+Na-2H]- 406.16675 200.1
[M]+ 385.19153 203.7
[M]- 385.19263 203.7
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