CID 3025630

9-(((3-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(=CC=C4)Cl)O
InChI
InChI=1S/C20H19ClN2O/c21-14-6-3-5-13(11-14)12-22-20-15-7-1-2-8-16(15)23-17-9-4-10-18(24)19(17)20/h1-3,5-8,11,18,24H,4,9-10,12H2,(H,22,23)
InChIKey
PAKRGUABUWIYQH-UHFFFAOYSA-N
Compound name
9-[(3-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
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 177.6
[M+Na]+ 361.10782 185.3
[M-H]- 337.11132 182.5
[M+NH4]+ 356.15242 191.6
[M+K]+ 377.08176 177.2
[M+H-H2O]+ 321.11586 168.6
[M+HCOO]- 383.11680 190.2
[M+CH3COO]- 397.13245 187.1
[M+Na-2H]- 359.09327 183.3
[M]+ 338.11805 176.6
[M]- 338.11915 176.6
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