CID 3025619

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

Structural Information

Molecular Formula
C20H19FN2O
SMILES
C1CC(C2=C(C3=CC=CC=C3N=C2C1)NCC4=CC(=CC=C4)F)O
InChI
InChI=1S/C20H19FN2O/c21-14-6-3-5-13(11-14)12-22-20-15-7-1-2-8-16(15)23-17-9-4-10-18(24)19(17)20/h1-3,5-8,11,18,24H,4,9-10,12H2,(H,22,23)
InChIKey
OYECSEBZWOFEHH-UHFFFAOYSA-N
Compound name
9-[(3-fluorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

322.14813 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15541 176.5
[M+Na]+ 345.13735 191.2
[M+NH4]+ 340.18195 185.5
[M+K]+ 361.11129 181.6
[M-H]- 321.14085 181.4
[M+Na-2H]- 343.12280 184.0
[M]+ 322.14758 180.0
[M]- 322.14868 180.0
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