CID 16077298

Chembl213274

Structural Information

Molecular Formula
C19H15Cl2NO
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)OC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C19H15Cl2NO/c20-12-9-10-18(15(21)11-12)23-19-13-5-1-3-7-16(13)22-17-8-4-2-6-14(17)19/h1,3,5,7,9-11H,2,4,6,8H2
InChIKey
OYFPUNOABNJOIQ-UHFFFAOYSA-N
Compound name
9-(2,4-dichlorophenoxy)-1,2,3,4-tetrahydroacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.05307 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.06035 176.3
[M+Na]+ 366.04229 186.1
[M-H]- 342.04579 181.9
[M+NH4]+ 361.08689 191.5
[M+K]+ 382.01623 178.1
[M+H-H2O]+ 326.05033 167.6
[M+HCOO]- 388.05127 184.5
[M+CH3COO]- 402.06692 186.6
[M+Na-2H]- 364.02774 181.3
[M]+ 343.05252 178.6
[M]- 343.05362 178.6
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

No patent data available for this compound.