CID 3025623

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

Structural Information

Molecular Formula
C20H19ClN2O
SMILES
C1CC(C2=C(C3=CC=CC=C3N=C2C1)NCC4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C20H19ClN2O/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
HEKGBDCRHYILPL-UHFFFAOYSA-N
Compound name
9-[(4-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

338.1186 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12588 179.3
[M+Na]+ 361.10782 196.1
[M+NH4]+ 356.15242 189.5
[M+K]+ 377.08176 185.4
[M-H]- 337.11132 186.0
[M+Na-2H]- 359.09327 187.8
[M]+ 338.11805 184.2
[M]- 338.11915 184.2
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