CID 16725316

Schembl3612563

Structural Information

Molecular Formula
C25H34ClN3O2
SMILES
CCN(CC)CCN1C2=C(C=CC(=C2)OCCN(CC)CC)C(=O)C3=C1C=C(C=C3)Cl
InChI
InChI=1S/C25H34ClN3O2/c1-5-27(6-2)13-14-29-23-17-19(26)9-11-21(23)25(30)22-12-10-20(18-24(22)29)31-16-15-28(7-3)8-4/h9-12,17-18H,5-8,13-16H2,1-4H3
InChIKey
HBYNOUHPMCAFIO-UHFFFAOYSA-N
Compound name
3-chloro-6-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

29
Patents

443.23395 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.24123 212.1
[M+Na]+ 466.22317 219.8
[M-H]- 442.22667 218.0
[M+NH4]+ 461.26777 224.2
[M+K]+ 482.19711 214.3
[M+H-H2O]+ 426.23121 202.0
[M+HCOO]- 488.23215 229.5
[M+CH3COO]- 502.24780 245.5
[M+Na-2H]- 464.20862 214.2
[M]+ 443.23340 224.1
[M]- 443.23450 224.1
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