CID 3025620

104628-30-0

Structural Information

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

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