CID 547231

Wr 243251

Structural Information

Molecular Formula
C24H24Cl3N3O
SMILES
CN(C)CCCN=C1CC(CC2=C1C(=O)C3=C(N2)C=CC(=C3)Cl)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H24Cl3N3O/c1-30(2)9-3-8-28-21-10-14(17-6-4-16(26)13-19(17)27)11-22-23(21)24(31)18-12-15(25)5-7-20(18)29-22/h4-7,12-14H,3,8-11H2,1-2H3,(H,29,31)
InChIKey
QPVVEWNCFBEZTH-UHFFFAOYSA-N
Compound name
7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

475.09848 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.10576 212.1
[M+Na]+ 498.08770 221.1
[M-H]- 474.09120 217.5
[M+NH4]+ 493.13230 222.8
[M+K]+ 514.06164 212.5
[M+H-H2O]+ 458.09574 203.3
[M+HCOO]- 520.09668 216.1
[M+CH3COO]- 534.11233 219.4
[M+Na-2H]- 496.07315 211.6
[M]+ 475.09793 216.6
[M]- 475.09903 216.6
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