CID 3025625

6-fluoro-9-(((2-(trifluoromethyl)phenyl)methyl)amino)-1,2,3,4-tetrahydro-1-acridinol

Structural Information

Molecular Formula
C21H18F4N2O
SMILES
C1CC(C2=C(C3=C(C=C(C=C3)F)N=C2C1)NCC4=CC=CC=C4C(F)(F)F)O
InChI
InChI=1S/C21H18F4N2O/c22-13-8-9-14-17(10-13)27-16-6-3-7-18(28)19(16)20(14)26-11-12-4-1-2-5-15(12)21(23,24)25/h1-2,4-5,8-10,18,28H,3,6-7,11H2,(H,26,27)
InChIKey
LSWZHJUDTDSZPN-UHFFFAOYSA-N
Compound name
6-fluoro-9-[[2-(trifluoromethyl)phenyl]methylamino]-1,2,3,4-tetrahydroacridin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

390.13553 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.14281 191.5
[M+Na]+ 413.12475 199.6
[M-H]- 389.12825 191.7
[M+NH4]+ 408.16935 202.6
[M+K]+ 429.09869 191.3
[M+H-H2O]+ 373.13279 178.6
[M+HCOO]- 435.13373 202.2
[M+CH3COO]- 449.14938 198.9
[M+Na-2H]- 411.11020 194.6
[M]+ 390.13498 184.0
[M]- 390.13608 184.0
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