CID 16077301

Chembl214130

Structural Information

Molecular Formula
C23H23NO2
SMILES
COC1=C(C=CC(=C1)CC=C)OC2=C3CCCCC3=NC4=CC=CC=C42
InChI
InChI=1S/C23H23NO2/c1-3-8-16-13-14-21(22(15-16)25-2)26-23-17-9-4-6-11-19(17)24-20-12-7-5-10-18(20)23/h3-4,6,9,11,13-15H,1,5,7-8,10,12H2,2H3
InChIKey
RJTFZGXBLPTVFD-UHFFFAOYSA-N
Compound name
9-(2-methoxy-4-prop-2-enylphenoxy)-1,2,3,4-tetrahydroacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.17288 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.18016 184.6
[M+Na]+ 368.16210 191.4
[M-H]- 344.16560 190.7
[M+NH4]+ 363.20670 198.1
[M+K]+ 384.13604 184.9
[M+H-H2O]+ 328.17014 174.0
[M+HCOO]- 390.17108 201.4
[M+CH3COO]- 404.18673 194.1
[M+Na-2H]- 366.14755 188.8
[M]+ 345.17233 185.0
[M]- 345.17343 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

No patent data available for this compound.