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 186.7
[M+Na]+ 408.05285 195.5
[M-H]- 384.05635 192.2
[M+NH4]+ 403.09745 200.1
[M+K]+ 424.02679 187.7
[M+H-H2O]+ 368.06089 177.9
[M+HCOO]- 430.06183 193.7
[M+CH3COO]- 444.07748 196.0
[M+Na-2H]- 406.03830 189.7
[M]+ 385.06308 189.9
[M]- 385.06418 189.9
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.