CID 16077297

Chembl212078

Structural Information

Molecular Formula
C19H16ClNO
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)OC4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H16ClNO/c20-13-9-11-14(12-10-13)22-19-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)19/h1,3,5,7,9-12H,2,4,6,8H2
InChIKey
OKWNBSQMBPULCN-UHFFFAOYSA-N
Compound name
9-(4-chlorophenoxy)-1,2,3,4-tetrahydroacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.09204 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.09932 170.1
[M+Na]+ 332.08126 178.6
[M-H]- 308.08476 176.3
[M+NH4]+ 327.12586 186.0
[M+K]+ 348.05520 171.4
[M+H-H2O]+ 292.08930 160.8
[M+HCOO]- 354.09024 183.5
[M+CH3COO]- 368.10589 180.9
[M+Na-2H]- 330.06671 176.7
[M]+ 309.09149 170.5
[M]- 309.09259 170.5
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.