CID 3025628

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

Structural Information

Molecular Formula
C29H28F2N2O
SMILES
C1CC(C2=C(C3=CC=CC=C3N=C2C1)NCCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O
InChI
InChI=1S/C29H28F2N2O/c30-21-14-10-19(11-15-21)23(20-12-16-22(31)17-13-20)6-4-18-32-29-24-5-1-2-7-25(24)33-26-8-3-9-27(34)28(26)29/h1-2,5,7,10-17,23,27,34H,3-4,6,8-9,18H2,(H,32,33)
InChIKey
WFEGXUFMYIXSFD-UHFFFAOYSA-N
Compound name
9-[4,4-bis(4-fluorophenyl)butylamino]-1,2,3,4-tetrahydroacridin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

458.21698 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.22426 214.5
[M+Na]+ 481.20620 228.5
[M+NH4]+ 476.25080 221.7
[M+K]+ 497.18014 217.7
[M-H]- 457.20970 219.8
[M+Na-2H]- 479.19165 221.6
[M]+ 458.21643 218.0
[M]- 458.21753 218.0
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