CID 45051088

853317-77-8

Structural Information

Molecular Formula
C21H19NO3
SMILES
COC1=CC=C(C=C1)OC(=O)C2=C3CCCCC3=NC4=CC=CC=C42
InChI
InChI=1S/C21H19NO3/c1-24-14-10-12-15(13-11-14)25-21(23)20-16-6-2-4-8-18(16)22-19-9-5-3-7-17(19)20/h2,4,6,8,10-13H,3,5,7,9H2,1H3
InChIKey
OUIVKIQBHIWWGK-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl) 1,2,3,4-tetrahydroacridine-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1365 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.14378 178.6
[M+Na]+ 356.12572 194.4
[M+NH4]+ 351.17032 187.7
[M+K]+ 372.09966 185.4
[M-H]- 332.12922 184.0
[M+Na-2H]- 354.11117 186.6
[M]+ 333.13595 182.6
[M]- 333.13705 182.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.