CID 3025618

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

Structural Information

Molecular Formula
C21H22N2O2
SMILES
COC1=CC=C(C=C1)CNC2=C3C(CCCC3=NC4=CC=CC=C42)O
InChI
InChI=1S/C21H22N2O2/c1-25-15-11-9-14(10-12-15)13-22-21-16-5-2-3-6-17(16)23-18-7-4-8-19(24)20(18)21/h2-3,5-6,9-12,19,24H,4,7-8,13H2,1H3,(H,22,23)
InChIKey
GKQCJUSPLSEUKC-UHFFFAOYSA-N
Compound name
9-[(4-methoxyphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

334.16812 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17540 181.0
[M+Na]+ 357.15734 196.1
[M+NH4]+ 352.20194 190.1
[M+K]+ 373.13128 186.7
[M-H]- 333.16084 187.1
[M+Na-2H]- 355.14279 188.7
[M]+ 334.16757 185.0
[M]- 334.16867 185.0
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