CID 16077300

Chembl383847

Structural Information

Molecular Formula
C21H21NO
SMILES
CC1=C(C=C(C=C1)OC2=C3CCCCC3=NC4=CC=CC=C42)C
InChI
InChI=1S/C21H21NO/c1-14-11-12-16(13-15(14)2)23-21-17-7-3-5-9-19(17)22-20-10-6-4-8-18(20)21/h3,5,7,9,11-13H,4,6,8,10H2,1-2H3
InChIKey
NVRUJDIDYURQHU-UHFFFAOYSA-N
Compound name
9-(3,4-dimethylphenoxy)-1,2,3,4-tetrahydroacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.16232 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16960 173.3
[M+Na]+ 326.15154 180.9
[M-H]- 302.15504 179.8
[M+NH4]+ 321.19614 188.8
[M+K]+ 342.12548 174.7
[M+H-H2O]+ 286.15958 163.2
[M+HCOO]- 348.16052 190.4
[M+CH3COO]- 362.17617 183.8
[M+Na-2H]- 324.13699 178.5
[M]+ 303.16177 172.3
[M]- 303.16287 172.3
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.