CID 3025617

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

334.16812 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.175396 178.4
[M+Na]+ 357.157338 184.6
[M-H]- 333.160844 183.5
[M+NH4]+ 352.201943 191.5
[M+K]+ 373.131278 178.4
[M+H-H2O]+ 317.165380 168.5
[M+HCOO]- 379.166321 195.3
[M+CH3COO]- 393.181971 187.7
[M+Na-2H]- 355.142786 184.2
[M]+ 334.16757142 176.7
[M]- 334.16866858 176.7
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