CID 45051089

853317-79-0

Structural Information

Molecular Formula
C22H21NO2
SMILES
CC1=C(C=C(C=C1)OC(=O)C2=C3CCCCC3=NC4=CC=CC=C42)C
InChI
InChI=1S/C22H21NO2/c1-14-11-12-16(13-15(14)2)25-22(24)21-17-7-3-5-9-19(17)23-20-10-6-4-8-18(20)21/h3,5,7,9,11-13H,4,6,8,10H2,1-2H3
InChIKey
FCRFIDYBOYRFRO-UHFFFAOYSA-N
Compound name
(3,4-dimethylphenyl) 1,2,3,4-tetrahydroacridine-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.15723 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16451 179.9
[M+Na]+ 354.14645 196.4
[M+NH4]+ 349.19105 189.4
[M+K]+ 370.12039 186.8
[M-H]- 330.14995 185.8
[M+Na-2H]- 352.13190 187.9
[M]+ 331.15668 184.2
[M]- 331.15778 184.2
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.