CID 3025610

1,2,3,4-tetrahydro-6-fluoro-9-((phenylmethyl)amino)-1-acridinol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
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