CID 3025621

6-chloro-9-(((4-fluorophenyl)methyl)amino)-1,2,3,4-tetrahydro-1-acridinol

Structural Information

Molecular Formula
C20H18ClFN2O
SMILES
C1CC(C2=C(C3=C(C=C(C=C3)Cl)N=C2C1)NCC4=CC=C(C=C4)F)O
InChI
InChI=1S/C20H18ClFN2O/c21-13-6-9-15-17(10-13)24-16-2-1-3-18(25)19(16)20(15)23-11-12-4-7-14(22)8-5-12/h4-10,18,25H,1-3,11H2,(H,23,24)
InChIKey
WUNJSFUQRGEAEJ-UHFFFAOYSA-N
Compound name
6-chloro-9-[(4-fluorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

356.10916 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.11644 181.4
[M+Na]+ 379.09838 190.1
[M-H]- 355.10188 185.3
[M+NH4]+ 374.14298 194.9
[M+K]+ 395.07232 181.5
[M+H-H2O]+ 339.10642 171.7
[M+HCOO]- 401.10736 192.9
[M+CH3COO]- 415.12301 190.6
[M+Na-2H]- 377.08383 185.7
[M]+ 356.10861 179.9
[M]- 356.10971 179.9
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