CID 2427094

2,4-dichlorobenzyl 1,2,3,4-tetrahydro-9-acridinecarboxylate

Structural Information

Molecular Formula
C21H17Cl2NO2
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C21H17Cl2NO2/c22-14-10-9-13(17(23)11-14)12-26-21(25)20-15-5-1-3-7-18(15)24-19-8-4-2-6-16(19)20/h1,3,5,7,9-11H,2,4,6,8,12H2
InChIKey
FSVQITHSHJSNCC-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.06363 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.07091 186.8
[M+Na]+ 408.05285 204.9
[M+NH4]+ 403.09745 196.8
[M+K]+ 424.02679 193.8
[M-H]- 384.05635 192.6
[M+Na-2H]- 406.03830 195.0
[M]+ 385.06308 192.0
[M]- 385.06418 192.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.