CID 3025616

104628-26-4

Structural Information

Molecular Formula
C21H22N2O2
SMILES
COC1=CC=CC=C1CNC2=C3C(CCCC3=NC4=CC=CC=C42)O
InChI
InChI=1S/C21H22N2O2/c1-25-19-12-5-2-7-14(19)13-22-21-15-8-3-4-9-16(15)23-17-10-6-11-18(24)20(17)21/h2-5,7-9,12,18,24H,6,10-11,13H2,1H3,(H,22,23)
InChIKey
LLZPXWNSZOEXRM-UHFFFAOYSA-N
Compound name
9-[(2-methoxyphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
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 178.4
[M+Na]+ 357.15734 184.6
[M-H]- 333.16084 183.5
[M+NH4]+ 352.20194 191.5
[M+K]+ 373.13128 178.4
[M+H-H2O]+ 317.16538 168.5
[M+HCOO]- 379.16632 195.3
[M+CH3COO]- 393.18197 187.7
[M+Na-2H]- 355.14279 184.2
[M]+ 334.16757 176.7
[M]- 334.16867 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